USER MOD reduce.3.24.130724 H: found=0, std=0, add=909, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 912 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 8 MET CE :methyl 152:sc= -1.43 (180deg=-4.53!) USER MOD Single : A 16 SER OG : rot -49:sc= 1.12 USER MOD Single : A 19 CYS SG : rot -90:sc= -3.58 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 59:sc= -0.494! USER MOD Single : A 42 LYS NZ :NH3+ 161:sc= -0.0107 (180deg=-0.161) USER MOD Single : A 43 SER OG : rot 146:sc= -2.14! USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -0.284 K(o=-0.28,f=-1.5!) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.267 K(o=-0.27,f=-2.2!) USER MOD Single : A 62 LYS NZ :NH3+ 149:sc= -0.0132 (180deg=-0.497) USER MOD Single : A 65 ASN : amide:sc= -3.14 K(o=-3.1,f=-2.3) USER MOD Single : A 66 SER OG : rot 180:sc= -2.24! USER MOD Single : A 67 LYS NZ :NH3+ -116:sc= -7.55! (180deg=-14.7!) USER MOD Single : A 77 TYR OH : rot -94:sc= 0.929 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 CYS SG : rot 170:sc= -1.39 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 64:sc= -1.88! USER MOD Single : A 94 SER OG : rot 160:sc= -0.914 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 ASN : amide:sc= -6.61 K(o=-6.6,f=-14!) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 102 N MET A 8 -3.936 6.861 -11.182 1.00 0.00 N ATOM 103 CA MET A 8 -2.643 7.334 -10.697 1.00 0.00 C ATOM 104 C MET A 8 -1.881 6.213 -9.999 1.00 0.00 C ATOM 105 O MET A 8 -2.283 5.746 -8.934 1.00 0.00 O ATOM 106 CB MET A 8 -2.830 8.515 -9.740 1.00 0.00 C ATOM 107 CG MET A 8 -1.675 9.504 -9.764 1.00 0.00 C ATOM 108 SD MET A 8 -2.135 11.098 -10.469 1.00 0.00 S ATOM 109 CE MET A 8 -0.849 12.150 -9.800 1.00 0.00 C ATOM 0 HA MET A 8 -2.061 7.664 -11.557 1.00 0.00 H new ATOM 0 HB2 MET A 8 -3.751 9.038 -9.997 1.00 0.00 H new ATOM 0 HB3 MET A 8 -2.951 8.135 -8.726 1.00 0.00 H new ATOM 0 HG2 MET A 8 -1.309 9.653 -8.748 1.00 0.00 H new ATOM 0 HG3 MET A 8 -0.852 9.081 -10.340 1.00 0.00 H new ATOM 0 HE1 MET A 8 -0.675 12.987 -10.477 1.00 0.00 H new ATOM 0 HE2 MET A 8 -1.159 12.529 -8.826 1.00 0.00 H new ATOM 0 HE3 MET A 8 0.070 11.575 -9.689 1.00 0.00 H new ATOM 119 N ARG A 9 -0.783 5.779 -10.610 1.00 0.00 N ATOM 120 CA ARG A 9 0.028 4.702 -10.047 1.00 0.00 C ATOM 121 C ARG A 9 1.366 5.207 -9.515 1.00 0.00 C ATOM 122 O ARG A 9 1.976 6.114 -10.083 1.00 0.00 O ATOM 123 CB ARG A 9 0.256 3.602 -11.094 1.00 0.00 C ATOM 124 CG ARG A 9 1.449 3.847 -12.008 1.00 0.00 C ATOM 125 CD ARG A 9 2.686 3.103 -11.523 1.00 0.00 C ATOM 126 NE ARG A 9 3.434 2.508 -12.627 1.00 0.00 N ATOM 127 CZ ARG A 9 2.982 1.501 -13.371 1.00 0.00 C ATOM 128 NH1 ARG A 9 1.786 0.976 -13.134 1.00 0.00 N ATOM 129 NH2 ARG A 9 3.727 1.019 -14.356 1.00 0.00 N ATOM 0 H ARG A 9 -0.434 6.154 -11.492 1.00 0.00 H new ATOM 0 HA ARG A 9 -0.524 4.289 -9.203 1.00 0.00 H new ATOM 0 HB2 ARG A 9 0.395 2.651 -10.580 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -0.642 3.506 -11.705 1.00 0.00 H new ATOM 0 HG2 ARG A 9 1.204 3.527 -13.021 1.00 0.00 H new ATOM 0 HG3 ARG A 9 1.660 4.915 -12.054 1.00 0.00 H new ATOM 0 HD2 ARG A 9 3.332 3.790 -10.977 1.00 0.00 H new ATOM 0 HD3 ARG A 9 2.388 2.322 -10.824 1.00 0.00 H new ATOM 0 HE ARG A 9 4.357 2.886 -12.841 1.00 0.00 H new ATOM 0 HH11 ARG A 9 1.208 1.344 -12.378 1.00 0.00 H new ATOM 0 HH12 ARG A 9 1.445 0.204 -13.707 1.00 0.00 H new ATOM 0 HH21 ARG A 9 4.646 1.420 -14.543 1.00 0.00 H new ATOM 0 HH22 ARG A 9 3.381 0.247 -14.926 1.00 0.00 H new ATOM 143 N LEU A 10 1.826 4.584 -8.434 1.00 0.00 N ATOM 144 CA LEU A 10 3.109 4.934 -7.826 1.00 0.00 C ATOM 145 C LEU A 10 4.028 3.720 -7.832 1.00 0.00 C ATOM 146 O LEU A 10 3.575 2.590 -8.011 1.00 0.00 O ATOM 147 CB LEU A 10 2.952 5.463 -6.385 1.00 0.00 C ATOM 148 CG LEU A 10 1.526 5.505 -5.826 1.00 0.00 C ATOM 149 CD1 LEU A 10 1.549 5.685 -4.310 1.00 0.00 C ATOM 150 CD2 LEU A 10 0.736 6.629 -6.479 1.00 0.00 C ATOM 0 H LEU A 10 1.328 3.831 -7.958 1.00 0.00 H new ATOM 0 HA LEU A 10 3.544 5.737 -8.421 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.559 4.843 -5.725 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.365 6.471 -6.344 1.00 0.00 H new ATOM 0 HG LEU A 10 1.039 4.557 -6.053 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.527 5.713 -3.931 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.083 4.852 -3.853 1.00 0.00 H new ATOM 0 HD13 LEU A 10 2.053 6.619 -4.062 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.275 6.647 -6.072 1.00 0.00 H new ATOM 0 HD22 LEU A 10 1.225 7.582 -6.278 1.00 0.00 H new ATOM 0 HD23 LEU A 10 0.691 6.464 -7.556 1.00 0.00 H new ATOM 162 N ARG A 11 5.318 3.955 -7.637 1.00 0.00 N ATOM 163 CA ARG A 11 6.291 2.872 -7.626 1.00 0.00 C ATOM 164 C ARG A 11 6.765 2.580 -6.203 1.00 0.00 C ATOM 165 O ARG A 11 6.899 3.491 -5.386 1.00 0.00 O ATOM 166 CB ARG A 11 7.483 3.222 -8.519 1.00 0.00 C ATOM 167 CG ARG A 11 7.833 2.137 -9.523 1.00 0.00 C ATOM 168 CD ARG A 11 8.180 0.828 -8.831 1.00 0.00 C ATOM 169 NE ARG A 11 9.252 0.113 -9.521 1.00 0.00 N ATOM 170 CZ ARG A 11 9.956 -0.875 -8.975 1.00 0.00 C ATOM 171 NH1 ARG A 11 9.708 -1.269 -7.733 1.00 0.00 N ATOM 172 NH2 ARG A 11 10.913 -1.470 -9.673 1.00 0.00 N ATOM 0 H ARG A 11 5.714 4.883 -7.485 1.00 0.00 H new ATOM 0 HA ARG A 11 5.808 1.976 -8.016 1.00 0.00 H new ATOM 0 HB2 ARG A 11 7.265 4.145 -9.056 1.00 0.00 H new ATOM 0 HB3 ARG A 11 8.352 3.417 -7.890 1.00 0.00 H new ATOM 0 HG2 ARG A 11 6.992 1.981 -10.199 1.00 0.00 H new ATOM 0 HG3 ARG A 11 8.676 2.462 -10.133 1.00 0.00 H new ATOM 0 HD2 ARG A 11 8.481 1.030 -7.803 1.00 0.00 H new ATOM 0 HD3 ARG A 11 7.293 0.196 -8.785 1.00 0.00 H new ATOM 0 HE ARG A 11 9.473 0.388 -10.478 1.00 0.00 H new ATOM 0 HH11 ARG A 11 8.974 -0.814 -7.191 1.00 0.00 H new ATOM 0 HH12 ARG A 11 10.251 -2.027 -7.320 1.00 0.00 H new ATOM 0 HH21 ARG A 11 11.109 -1.170 -10.628 1.00 0.00 H new ATOM 0 HH22 ARG A 11 11.453 -2.228 -9.255 1.00 0.00 H new ATOM 186 N ILE A 12 7.022 1.308 -5.917 1.00 0.00 N ATOM 187 CA ILE A 12 7.488 0.899 -4.600 1.00 0.00 C ATOM 188 C ILE A 12 8.451 -0.277 -4.736 1.00 0.00 C ATOM 189 O ILE A 12 8.037 -1.418 -4.942 1.00 0.00 O ATOM 190 CB ILE A 12 6.294 0.548 -3.665 1.00 0.00 C ATOM 191 CG1 ILE A 12 5.972 1.741 -2.767 1.00 0.00 C ATOM 192 CG2 ILE A 12 6.568 -0.690 -2.816 1.00 0.00 C ATOM 193 CD1 ILE A 12 4.608 1.660 -2.117 1.00 0.00 C ATOM 0 H ILE A 12 6.915 0.542 -6.582 1.00 0.00 H new ATOM 0 HA ILE A 12 8.020 1.733 -4.142 1.00 0.00 H new ATOM 0 HB ILE A 12 5.437 0.321 -4.298 1.00 0.00 H new ATOM 0 HG12 ILE A 12 6.732 1.815 -1.989 1.00 0.00 H new ATOM 0 HG13 ILE A 12 6.030 2.655 -3.357 1.00 0.00 H new ATOM 0 HG21 ILE A 12 5.706 -0.894 -2.181 1.00 0.00 H new ATOM 0 HG22 ILE A 12 6.749 -1.545 -3.467 1.00 0.00 H new ATOM 0 HG23 ILE A 12 7.445 -0.517 -2.192 1.00 0.00 H new ATOM 0 HD11 ILE A 12 4.449 2.540 -1.494 1.00 0.00 H new ATOM 0 HD12 ILE A 12 3.839 1.617 -2.889 1.00 0.00 H new ATOM 0 HD13 ILE A 12 4.552 0.764 -1.499 1.00 0.00 H new ATOM 205 N ARG A 13 9.743 0.020 -4.643 1.00 0.00 N ATOM 206 CA ARG A 13 10.770 -1.009 -4.779 1.00 0.00 C ATOM 207 C ARG A 13 11.296 -1.463 -3.423 1.00 0.00 C ATOM 208 O ARG A 13 11.229 -0.731 -2.434 1.00 0.00 O ATOM 209 CB ARG A 13 11.932 -0.502 -5.638 1.00 0.00 C ATOM 210 CG ARG A 13 12.531 0.803 -5.144 1.00 0.00 C ATOM 211 CD ARG A 13 13.689 1.256 -6.019 1.00 0.00 C ATOM 212 NE ARG A 13 13.233 1.759 -7.313 1.00 0.00 N ATOM 213 CZ ARG A 13 13.043 0.993 -8.385 1.00 0.00 C ATOM 214 NH1 ARG A 13 13.266 -0.314 -8.328 1.00 0.00 N ATOM 215 NH2 ARG A 13 12.627 1.538 -9.521 1.00 0.00 N ATOM 0 H ARG A 13 10.103 0.959 -4.475 1.00 0.00 H new ATOM 0 HA ARG A 13 10.305 -1.865 -5.269 1.00 0.00 H new ATOM 0 HB2 ARG A 13 12.712 -1.263 -5.664 1.00 0.00 H new ATOM 0 HB3 ARG A 13 11.584 -0.367 -6.662 1.00 0.00 H new ATOM 0 HG2 ARG A 13 11.761 1.575 -5.130 1.00 0.00 H new ATOM 0 HG3 ARG A 13 12.877 0.679 -4.118 1.00 0.00 H new ATOM 0 HD2 ARG A 13 14.249 2.036 -5.504 1.00 0.00 H new ATOM 0 HD3 ARG A 13 14.373 0.422 -6.175 1.00 0.00 H new ATOM 0 HE ARG A 13 13.049 2.758 -7.400 1.00 0.00 H new ATOM 0 HH11 ARG A 13 13.586 -0.739 -7.458 1.00 0.00 H new ATOM 0 HH12 ARG A 13 13.118 -0.893 -9.154 1.00 0.00 H new ATOM 0 HH21 ARG A 13 12.454 2.542 -9.572 1.00 0.00 H new ATOM 0 HH22 ARG A 13 12.481 0.953 -10.344 1.00 0.00 H new ATOM 229 N PHE A 14 11.829 -2.678 -3.400 1.00 0.00 N ATOM 230 CA PHE A 14 12.390 -3.265 -2.192 1.00 0.00 C ATOM 231 C PHE A 14 13.732 -3.911 -2.518 1.00 0.00 C ATOM 232 O PHE A 14 13.885 -4.554 -3.557 1.00 0.00 O ATOM 233 CB PHE A 14 11.435 -4.311 -1.604 1.00 0.00 C ATOM 234 CG PHE A 14 10.563 -3.785 -0.497 1.00 0.00 C ATOM 235 CD1 PHE A 14 9.749 -2.680 -0.702 1.00 0.00 C ATOM 236 CD2 PHE A 14 10.555 -4.394 0.750 1.00 0.00 C ATOM 237 CE1 PHE A 14 8.946 -2.195 0.312 1.00 0.00 C ATOM 238 CE2 PHE A 14 9.753 -3.912 1.768 1.00 0.00 C ATOM 239 CZ PHE A 14 8.949 -2.810 1.548 1.00 0.00 C ATOM 0 H PHE A 14 11.884 -3.284 -4.219 1.00 0.00 H new ATOM 0 HA PHE A 14 12.533 -2.478 -1.452 1.00 0.00 H new ATOM 0 HB2 PHE A 14 10.800 -4.698 -2.401 1.00 0.00 H new ATOM 0 HB3 PHE A 14 12.019 -5.150 -1.226 1.00 0.00 H new ATOM 0 HD1 PHE A 14 9.743 -2.193 -1.666 1.00 0.00 H new ATOM 0 HD2 PHE A 14 11.183 -5.255 0.927 1.00 0.00 H new ATOM 0 HE1 PHE A 14 8.316 -1.335 0.138 1.00 0.00 H new ATOM 0 HE2 PHE A 14 9.755 -4.396 2.733 1.00 0.00 H new ATOM 0 HZ PHE A 14 8.323 -2.430 2.342 1.00 0.00 H new ATOM 249 N GLU A 15 14.706 -3.721 -1.638 1.00 0.00 N ATOM 250 CA GLU A 15 16.048 -4.270 -1.840 1.00 0.00 C ATOM 251 C GLU A 15 16.014 -5.713 -2.345 1.00 0.00 C ATOM 252 O GLU A 15 16.934 -6.158 -3.031 1.00 0.00 O ATOM 253 CB GLU A 15 16.861 -4.212 -0.541 1.00 0.00 C ATOM 254 CG GLU A 15 17.814 -3.031 -0.451 1.00 0.00 C ATOM 255 CD GLU A 15 17.254 -1.762 -1.066 1.00 0.00 C ATOM 256 OE1 GLU A 15 16.056 -1.478 -0.853 1.00 0.00 O ATOM 257 OE2 GLU A 15 18.012 -1.055 -1.762 1.00 0.00 O ATOM 0 H GLU A 15 14.595 -3.190 -0.774 1.00 0.00 H new ATOM 0 HA GLU A 15 16.524 -3.652 -2.602 1.00 0.00 H new ATOM 0 HB2 GLU A 15 16.173 -4.173 0.303 1.00 0.00 H new ATOM 0 HB3 GLU A 15 17.434 -5.134 -0.443 1.00 0.00 H new ATOM 0 HG2 GLU A 15 18.053 -2.845 0.596 1.00 0.00 H new ATOM 0 HG3 GLU A 15 18.748 -3.287 -0.951 1.00 0.00 H new ATOM 264 N SER A 16 14.967 -6.444 -1.986 1.00 0.00 N ATOM 265 CA SER A 16 14.845 -7.840 -2.392 1.00 0.00 C ATOM 266 C SER A 16 13.522 -8.112 -3.107 1.00 0.00 C ATOM 267 O SER A 16 13.067 -9.252 -3.156 1.00 0.00 O ATOM 268 CB SER A 16 14.963 -8.753 -1.170 1.00 0.00 C ATOM 269 OG SER A 16 14.908 -10.118 -1.546 1.00 0.00 O ATOM 0 H SER A 16 14.194 -6.097 -1.418 1.00 0.00 H new ATOM 0 HA SER A 16 15.654 -8.049 -3.091 1.00 0.00 H new ATOM 0 HB2 SER A 16 15.901 -8.553 -0.652 1.00 0.00 H new ATOM 0 HB3 SER A 16 14.158 -8.533 -0.469 1.00 0.00 H new ATOM 0 HG SER A 16 14.146 -10.262 -2.146 1.00 0.00 H new ATOM 275 N ALA A 17 12.905 -7.071 -3.665 1.00 0.00 N ATOM 276 CA ALA A 17 11.634 -7.255 -4.372 1.00 0.00 C ATOM 277 C ALA A 17 11.160 -5.976 -5.061 1.00 0.00 C ATOM 278 O ALA A 17 11.440 -4.869 -4.608 1.00 0.00 O ATOM 279 CB ALA A 17 10.561 -7.767 -3.416 1.00 0.00 C ATOM 0 H ALA A 17 13.252 -6.112 -3.644 1.00 0.00 H new ATOM 0 HA ALA A 17 11.807 -7.997 -5.151 1.00 0.00 H new ATOM 0 HB1 ALA A 17 9.624 -7.898 -3.957 1.00 0.00 H new ATOM 0 HB2 ALA A 17 10.874 -8.723 -2.996 1.00 0.00 H new ATOM 0 HB3 ALA A 17 10.417 -7.046 -2.611 1.00 0.00 H new ATOM 285 N GLU A 18 10.431 -6.150 -6.167 1.00 0.00 N ATOM 286 CA GLU A 18 9.901 -5.016 -6.934 1.00 0.00 C ATOM 287 C GLU A 18 8.419 -5.211 -7.256 1.00 0.00 C ATOM 288 O GLU A 18 7.994 -6.315 -7.595 1.00 0.00 O ATOM 289 CB GLU A 18 10.695 -4.836 -8.229 1.00 0.00 C ATOM 290 CG GLU A 18 12.197 -4.998 -8.055 1.00 0.00 C ATOM 291 CD GLU A 18 12.755 -4.119 -6.952 1.00 0.00 C ATOM 292 OE1 GLU A 18 12.039 -3.198 -6.506 1.00 0.00 O ATOM 293 OE2 GLU A 18 13.908 -4.352 -6.534 1.00 0.00 O ATOM 0 H GLU A 18 10.194 -7.064 -6.552 1.00 0.00 H new ATOM 0 HA GLU A 18 10.003 -4.120 -6.322 1.00 0.00 H new ATOM 0 HB2 GLU A 18 10.343 -5.561 -8.964 1.00 0.00 H new ATOM 0 HB3 GLU A 18 10.490 -3.845 -8.635 1.00 0.00 H new ATOM 0 HG2 GLU A 18 12.423 -6.041 -7.833 1.00 0.00 H new ATOM 0 HG3 GLU A 18 12.696 -4.757 -8.994 1.00 0.00 H new ATOM 300 N CYS A 19 7.634 -4.134 -7.151 1.00 0.00 N ATOM 301 CA CYS A 19 6.194 -4.213 -7.440 1.00 0.00 C ATOM 302 C CYS A 19 5.584 -2.821 -7.614 1.00 0.00 C ATOM 303 O CYS A 19 6.035 -1.856 -6.998 1.00 0.00 O ATOM 304 CB CYS A 19 5.445 -4.975 -6.328 1.00 0.00 C ATOM 305 SG CYS A 19 6.435 -5.369 -4.863 1.00 0.00 S ATOM 0 H CYS A 19 7.962 -3.209 -6.873 1.00 0.00 H new ATOM 0 HA CYS A 19 6.084 -4.760 -8.376 1.00 0.00 H new ATOM 0 HB2 CYS A 19 4.586 -4.380 -6.017 1.00 0.00 H new ATOM 0 HB3 CYS A 19 5.056 -5.904 -6.745 1.00 0.00 H new ATOM 0 HG CYS A 19 6.999 -6.530 -5.020 1.00 0.00 H new ATOM 311 N GLU A 20 4.546 -2.723 -8.454 1.00 0.00 N ATOM 312 CA GLU A 20 3.875 -1.448 -8.695 1.00 0.00 C ATOM 313 C GLU A 20 2.426 -1.511 -8.220 1.00 0.00 C ATOM 314 O GLU A 20 1.848 -2.593 -8.111 1.00 0.00 O ATOM 315 CB GLU A 20 3.922 -1.087 -10.185 1.00 0.00 C ATOM 316 CG GLU A 20 5.152 -1.613 -10.909 1.00 0.00 C ATOM 317 CD GLU A 20 5.354 -0.965 -12.265 1.00 0.00 C ATOM 318 OE1 GLU A 20 4.635 -1.341 -13.214 1.00 0.00 O ATOM 319 OE2 GLU A 20 6.229 -0.081 -12.376 1.00 0.00 O ATOM 0 H GLU A 20 4.157 -3.510 -8.974 1.00 0.00 H new ATOM 0 HA GLU A 20 4.398 -0.675 -8.131 1.00 0.00 H new ATOM 0 HB2 GLU A 20 3.030 -1.481 -10.672 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.889 -0.002 -10.287 1.00 0.00 H new ATOM 0 HG2 GLU A 20 6.034 -1.439 -10.292 1.00 0.00 H new ATOM 0 HG3 GLU A 20 5.060 -2.692 -11.036 1.00 0.00 H new ATOM 326 N VAL A 21 1.845 -0.351 -7.933 1.00 0.00 N ATOM 327 CA VAL A 21 0.465 -0.288 -7.462 1.00 0.00 C ATOM 328 C VAL A 21 -0.232 0.981 -7.953 1.00 0.00 C ATOM 329 O VAL A 21 0.345 2.069 -7.940 1.00 0.00 O ATOM 330 CB VAL A 21 0.385 -0.384 -5.911 1.00 0.00 C ATOM 331 CG1 VAL A 21 1.776 -0.393 -5.294 1.00 0.00 C ATOM 332 CG2 VAL A 21 -0.454 0.742 -5.316 1.00 0.00 C ATOM 0 H VAL A 21 2.305 0.555 -8.018 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.055 -1.149 -7.881 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.108 -1.326 -5.672 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.692 -0.461 -4.209 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.335 -1.250 -5.669 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.298 0.526 -5.561 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.485 0.639 -4.231 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.010 1.703 -5.577 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.467 0.690 -5.714 1.00 0.00 H new ATOM 342 N GLU A 22 -1.483 0.825 -8.376 1.00 0.00 N ATOM 343 CA GLU A 22 -2.281 1.946 -8.869 1.00 0.00 C ATOM 344 C GLU A 22 -3.104 2.548 -7.737 1.00 0.00 C ATOM 345 O GLU A 22 -3.014 2.105 -6.594 1.00 0.00 O ATOM 346 CB GLU A 22 -3.203 1.487 -9.999 1.00 0.00 C ATOM 347 CG GLU A 22 -2.458 1.037 -11.246 1.00 0.00 C ATOM 348 CD GLU A 22 -2.864 -0.353 -11.699 1.00 0.00 C ATOM 349 OE1 GLU A 22 -4.041 -0.720 -11.502 1.00 0.00 O ATOM 350 OE2 GLU A 22 -2.005 -1.071 -12.248 1.00 0.00 O ATOM 0 H GLU A 22 -1.969 -0.072 -8.388 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.604 2.708 -9.256 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.823 0.666 -9.640 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -3.876 2.303 -10.262 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.645 1.747 -12.052 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -1.386 1.052 -11.050 1.00 0.00 H new ATOM 357 N LEU A 23 -3.907 3.560 -8.056 1.00 0.00 N ATOM 358 CA LEU A 23 -4.740 4.206 -7.047 1.00 0.00 C ATOM 359 C LEU A 23 -5.954 4.868 -7.688 1.00 0.00 C ATOM 360 O LEU A 23 -5.882 5.378 -8.808 1.00 0.00 O ATOM 361 CB LEU A 23 -3.913 5.231 -6.252 1.00 0.00 C ATOM 362 CG LEU A 23 -4.700 6.353 -5.557 1.00 0.00 C ATOM 363 CD1 LEU A 23 -5.368 5.847 -4.285 1.00 0.00 C ATOM 364 CD2 LEU A 23 -3.776 7.519 -5.241 1.00 0.00 C ATOM 0 H LEU A 23 -3.998 3.947 -8.995 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.101 3.443 -6.357 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.341 4.695 -5.494 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.193 5.689 -6.930 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.483 6.693 -6.235 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.918 6.662 -3.814 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.057 5.040 -4.532 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.608 5.477 -3.597 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.343 8.309 -4.749 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.976 7.181 -4.582 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.346 7.903 -6.166 1.00 0.00 H new ATOM 376 N TYR A 24 -7.070 4.858 -6.967 1.00 0.00 N ATOM 377 CA TYR A 24 -8.306 5.458 -7.459 1.00 0.00 C ATOM 378 C TYR A 24 -8.866 6.458 -6.448 1.00 0.00 C ATOM 379 O TYR A 24 -8.710 6.287 -5.239 1.00 0.00 O ATOM 380 CB TYR A 24 -9.346 4.374 -7.779 1.00 0.00 C ATOM 381 CG TYR A 24 -8.867 3.355 -8.788 1.00 0.00 C ATOM 382 CD1 TYR A 24 -8.081 3.734 -9.869 1.00 0.00 C ATOM 383 CD2 TYR A 24 -9.200 2.012 -8.659 1.00 0.00 C ATOM 384 CE1 TYR A 24 -7.643 2.804 -10.793 1.00 0.00 C ATOM 385 CE2 TYR A 24 -8.764 1.077 -9.578 1.00 0.00 C ATOM 386 CZ TYR A 24 -7.986 1.478 -10.642 1.00 0.00 C ATOM 387 OH TYR A 24 -7.550 0.550 -11.561 1.00 0.00 O ATOM 0 H TYR A 24 -7.145 4.441 -6.039 1.00 0.00 H new ATOM 0 HA TYR A 24 -8.077 5.996 -8.379 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -9.618 3.860 -6.857 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -10.250 4.850 -8.157 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -7.808 4.772 -9.989 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -9.810 1.694 -7.826 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -7.035 3.115 -11.629 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -9.032 0.037 -9.463 1.00 0.00 H new ATOM 0 HH TYR A 24 -7.878 -0.339 -11.309 1.00 0.00 H new ATOM 397 N GLU A 25 -9.501 7.512 -6.957 1.00 0.00 N ATOM 398 CA GLU A 25 -10.073 8.560 -6.103 1.00 0.00 C ATOM 399 C GLU A 25 -11.076 8.022 -5.078 1.00 0.00 C ATOM 400 O GLU A 25 -11.513 8.762 -4.197 1.00 0.00 O ATOM 401 CB GLU A 25 -10.752 9.641 -6.949 1.00 0.00 C ATOM 402 CG GLU A 25 -9.796 10.437 -7.829 1.00 0.00 C ATOM 403 CD GLU A 25 -10.456 10.932 -9.101 1.00 0.00 C ATOM 404 OE1 GLU A 25 -11.457 10.319 -9.529 1.00 0.00 O ATOM 405 OE2 GLU A 25 -9.971 11.934 -9.669 1.00 0.00 O ATOM 0 H GLU A 25 -9.634 7.666 -7.956 1.00 0.00 H new ATOM 0 HA GLU A 25 -9.234 8.985 -5.552 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -11.505 9.172 -7.582 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -11.276 10.329 -6.286 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -9.413 11.289 -7.267 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.940 9.814 -8.086 1.00 0.00 H new ATOM 412 N GLU A 26 -11.455 6.747 -5.189 1.00 0.00 N ATOM 413 CA GLU A 26 -12.422 6.156 -4.261 1.00 0.00 C ATOM 414 C GLU A 26 -12.097 6.520 -2.809 1.00 0.00 C ATOM 415 O GLU A 26 -12.990 6.595 -1.966 1.00 0.00 O ATOM 416 CB GLU A 26 -12.451 4.631 -4.426 1.00 0.00 C ATOM 417 CG GLU A 26 -11.235 3.923 -3.844 1.00 0.00 C ATOM 418 CD GLU A 26 -11.165 2.462 -4.244 1.00 0.00 C ATOM 419 OE1 GLU A 26 -12.086 1.702 -3.880 1.00 0.00 O ATOM 420 OE2 GLU A 26 -10.187 2.078 -4.920 1.00 0.00 O ATOM 0 H GLU A 26 -11.111 6.108 -5.906 1.00 0.00 H new ATOM 0 HA GLU A 26 -13.405 6.562 -4.499 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -13.349 4.241 -3.948 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -12.525 4.392 -5.487 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -10.330 4.431 -4.176 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -11.261 3.998 -2.757 1.00 0.00 H new ATOM 427 N TRP A 27 -10.821 6.770 -2.531 1.00 0.00 N ATOM 428 CA TRP A 27 -10.391 7.154 -1.195 1.00 0.00 C ATOM 429 C TRP A 27 -10.661 8.643 -0.984 1.00 0.00 C ATOM 430 O TRP A 27 -11.375 9.023 -0.056 1.00 0.00 O ATOM 431 CB TRP A 27 -8.900 6.827 -1.004 1.00 0.00 C ATOM 432 CG TRP A 27 -8.297 7.370 0.257 1.00 0.00 C ATOM 433 CD1 TRP A 27 -8.950 7.933 1.315 1.00 0.00 C ATOM 434 CD2 TRP A 27 -6.905 7.387 0.588 1.00 0.00 C ATOM 435 NE1 TRP A 27 -8.047 8.303 2.282 1.00 0.00 N ATOM 436 CE2 TRP A 27 -6.784 7.978 1.859 1.00 0.00 C ATOM 437 CE3 TRP A 27 -5.749 6.959 -0.070 1.00 0.00 C ATOM 438 CZ2 TRP A 27 -5.552 8.149 2.485 1.00 0.00 C ATOM 439 CZ3 TRP A 27 -4.526 7.131 0.552 1.00 0.00 C ATOM 440 CH2 TRP A 27 -4.437 7.721 1.819 1.00 0.00 C ATOM 0 H TRP A 27 -10.067 6.713 -3.216 1.00 0.00 H new ATOM 0 HA TRP A 27 -10.954 6.590 -0.452 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -8.775 5.744 -1.014 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -8.344 7.220 -1.855 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -10.019 8.068 1.382 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -8.279 8.747 3.170 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -5.810 6.502 -1.047 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -5.480 8.604 3.462 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -3.625 6.805 0.053 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -3.468 7.840 2.280 1.00 0.00 H new ATOM 451 N ALA A 28 -10.114 9.477 -1.875 1.00 0.00 N ATOM 452 CA ALA A 28 -10.318 10.930 -1.812 1.00 0.00 C ATOM 453 C ALA A 28 -9.208 11.690 -2.540 1.00 0.00 C ATOM 454 O ALA A 28 -8.071 11.734 -2.071 1.00 0.00 O ATOM 455 CB ALA A 28 -10.410 11.417 -0.369 1.00 0.00 C ATOM 0 H ALA A 28 -9.526 9.171 -2.650 1.00 0.00 H new ATOM 0 HA ALA A 28 -11.264 11.134 -2.314 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.561 12.496 -0.358 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -11.249 10.928 0.127 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -9.486 11.175 0.156 1.00 0.00 H new ATOM 461 N PRO A 29 -9.525 12.309 -3.697 1.00 0.00 N ATOM 462 CA PRO A 29 -8.551 13.076 -4.480 1.00 0.00 C ATOM 463 C PRO A 29 -7.624 13.929 -3.610 1.00 0.00 C ATOM 464 O PRO A 29 -6.479 14.190 -3.981 1.00 0.00 O ATOM 465 CB PRO A 29 -9.431 13.976 -5.345 1.00 0.00 C ATOM 466 CG PRO A 29 -10.704 13.219 -5.528 1.00 0.00 C ATOM 467 CD PRO A 29 -10.860 12.310 -4.333 1.00 0.00 C ATOM 0 HA PRO A 29 -7.885 12.422 -5.042 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -9.610 14.936 -4.860 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -8.957 14.187 -6.304 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -11.550 13.902 -5.605 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -10.678 12.640 -6.451 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -11.625 12.679 -3.650 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -11.158 11.306 -4.634 1.00 0.00 H new ATOM 475 N GLU A 30 -8.126 14.367 -2.456 1.00 0.00 N ATOM 476 CA GLU A 30 -7.340 15.198 -1.544 1.00 0.00 C ATOM 477 C GLU A 30 -6.185 14.410 -0.931 1.00 0.00 C ATOM 478 O GLU A 30 -5.071 14.920 -0.814 1.00 0.00 O ATOM 479 CB GLU A 30 -8.227 15.766 -0.427 1.00 0.00 C ATOM 480 CG GLU A 30 -9.054 16.980 -0.841 1.00 0.00 C ATOM 481 CD GLU A 30 -8.550 18.266 -0.218 1.00 0.00 C ATOM 482 OE1 GLU A 30 -8.186 18.245 0.977 1.00 0.00 O ATOM 483 OE2 GLU A 30 -8.519 19.296 -0.924 1.00 0.00 O ATOM 0 H GLU A 30 -9.071 14.161 -2.131 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.927 16.021 -2.127 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -8.901 14.983 -0.080 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.596 16.041 0.418 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -9.036 17.075 -1.927 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -10.093 16.823 -0.552 1.00 0.00 H new ATOM 490 N THR A 31 -6.453 13.167 -0.540 1.00 0.00 N ATOM 491 CA THR A 31 -5.418 12.321 0.063 1.00 0.00 C ATOM 492 C THR A 31 -4.363 11.946 -0.975 1.00 0.00 C ATOM 493 O THR A 31 -3.163 12.017 -0.708 1.00 0.00 O ATOM 494 CB THR A 31 -6.033 11.054 0.674 1.00 0.00 C ATOM 495 OG1 THR A 31 -7.391 10.922 0.297 1.00 0.00 O ATOM 496 CG2 THR A 31 -5.974 11.022 2.192 1.00 0.00 C ATOM 0 H THR A 31 -7.367 12.723 -0.627 1.00 0.00 H new ATOM 0 HA THR A 31 -4.940 12.890 0.861 1.00 0.00 H new ATOM 0 HB THR A 31 -5.432 10.232 0.287 1.00 0.00 H new ATOM 0 HG1 THR A 31 -7.456 10.875 -0.680 1.00 0.00 H new ATOM 0 HG21 THR A 31 -6.426 10.099 2.554 1.00 0.00 H new ATOM 0 HG22 THR A 31 -4.935 11.069 2.517 1.00 0.00 H new ATOM 0 HG23 THR A 31 -6.519 11.876 2.595 1.00 0.00 H new ATOM 504 N VAL A 32 -4.817 11.555 -2.162 1.00 0.00 N ATOM 505 CA VAL A 32 -3.919 11.176 -3.249 1.00 0.00 C ATOM 506 C VAL A 32 -2.824 12.221 -3.452 1.00 0.00 C ATOM 507 O VAL A 32 -1.696 11.890 -3.816 1.00 0.00 O ATOM 508 CB VAL A 32 -4.692 11.000 -4.570 1.00 0.00 C ATOM 509 CG1 VAL A 32 -3.778 10.470 -5.664 1.00 0.00 C ATOM 510 CG2 VAL A 32 -5.887 10.080 -4.371 1.00 0.00 C ATOM 0 H VAL A 32 -5.808 11.492 -2.397 1.00 0.00 H new ATOM 0 HA VAL A 32 -3.462 10.227 -2.968 1.00 0.00 H new ATOM 0 HB VAL A 32 -5.061 11.977 -4.883 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -4.345 10.354 -6.587 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -2.960 11.172 -5.827 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -3.373 9.504 -5.363 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -6.421 9.968 -5.315 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.542 9.104 -4.031 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -6.556 10.509 -3.625 1.00 0.00 H new ATOM 520 N ARG A 33 -3.169 13.483 -3.218 1.00 0.00 N ATOM 521 CA ARG A 33 -2.219 14.580 -3.380 1.00 0.00 C ATOM 522 C ARG A 33 -0.989 14.382 -2.495 1.00 0.00 C ATOM 523 O ARG A 33 0.131 14.700 -2.895 1.00 0.00 O ATOM 524 CB ARG A 33 -2.887 15.918 -3.050 1.00 0.00 C ATOM 525 CG ARG A 33 -2.168 17.125 -3.634 1.00 0.00 C ATOM 526 CD ARG A 33 -2.645 18.420 -2.995 1.00 0.00 C ATOM 527 NE ARG A 33 -1.689 19.509 -3.186 1.00 0.00 N ATOM 528 CZ ARG A 33 -1.999 20.797 -3.060 1.00 0.00 C ATOM 529 NH1 ARG A 33 -3.235 21.162 -2.742 1.00 0.00 N ATOM 530 NH2 ARG A 33 -1.071 21.723 -3.251 1.00 0.00 N ATOM 0 H ARG A 33 -4.099 13.772 -2.916 1.00 0.00 H new ATOM 0 HA ARG A 33 -1.895 14.588 -4.421 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -3.912 15.903 -3.421 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -2.942 16.029 -1.967 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -1.094 17.018 -3.484 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -2.337 17.165 -4.710 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -3.607 18.703 -3.423 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -2.805 18.261 -1.929 1.00 0.00 H new ATOM 0 HE ARG A 33 -0.728 19.268 -3.430 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -3.954 20.454 -2.593 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -3.466 22.151 -2.647 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -0.119 21.449 -3.495 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -1.308 22.710 -3.155 1.00 0.00 H new ATOM 544 N ALA A 34 -1.203 13.854 -1.293 1.00 0.00 N ATOM 545 CA ALA A 34 -0.104 13.617 -0.358 1.00 0.00 C ATOM 546 C ALA A 34 0.837 12.542 -0.883 1.00 0.00 C ATOM 547 O ALA A 34 2.054 12.726 -0.901 1.00 0.00 O ATOM 548 CB ALA A 34 -0.641 13.233 1.012 1.00 0.00 C ATOM 0 H ALA A 34 -2.122 13.583 -0.943 1.00 0.00 H new ATOM 0 HA ALA A 34 0.462 14.544 -0.261 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.192 13.061 1.694 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -1.265 14.040 1.397 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.235 12.323 0.928 1.00 0.00 H new ATOM 554 N ILE A 35 0.271 11.422 -1.322 1.00 0.00 N ATOM 555 CA ILE A 35 1.080 10.328 -1.859 1.00 0.00 C ATOM 556 C ILE A 35 1.993 10.859 -2.967 1.00 0.00 C ATOM 557 O ILE A 35 3.205 10.641 -2.943 1.00 0.00 O ATOM 558 CB ILE A 35 0.232 9.168 -2.441 1.00 0.00 C ATOM 559 CG1 ILE A 35 -1.229 9.248 -1.991 1.00 0.00 C ATOM 560 CG2 ILE A 35 0.832 7.829 -2.038 1.00 0.00 C ATOM 561 CD1 ILE A 35 -1.410 9.133 -0.492 1.00 0.00 C ATOM 0 H ILE A 35 -0.734 11.247 -1.318 1.00 0.00 H new ATOM 0 HA ILE A 35 1.656 9.932 -1.022 1.00 0.00 H new ATOM 0 HB ILE A 35 0.247 9.260 -3.527 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.653 10.194 -2.328 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.794 8.454 -2.479 1.00 0.00 H new ATOM 0 HG21 ILE A 35 0.229 7.021 -2.452 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.849 7.756 -2.422 1.00 0.00 H new ATOM 0 HG23 ILE A 35 0.848 7.750 -0.951 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -2.470 9.198 -0.247 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.017 8.175 -0.150 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.873 9.943 0.002 1.00 0.00 H new ATOM 573 N ALA A 36 1.402 11.576 -3.934 1.00 0.00 N ATOM 574 CA ALA A 36 2.166 12.152 -5.037 1.00 0.00 C ATOM 575 C ALA A 36 3.183 13.156 -4.509 1.00 0.00 C ATOM 576 O ALA A 36 4.236 13.361 -5.105 1.00 0.00 O ATOM 577 CB ALA A 36 1.236 12.811 -6.042 1.00 0.00 C ATOM 0 H ALA A 36 0.401 11.767 -3.970 1.00 0.00 H new ATOM 0 HA ALA A 36 2.703 11.350 -5.543 1.00 0.00 H new ATOM 0 HB1 ALA A 36 1.823 13.235 -6.857 1.00 0.00 H new ATOM 0 HB2 ALA A 36 0.545 12.068 -6.440 1.00 0.00 H new ATOM 0 HB3 ALA A 36 0.672 13.604 -5.550 1.00 0.00 H new ATOM 583 N ASP A 37 2.864 13.784 -3.383 1.00 0.00 N ATOM 584 CA ASP A 37 3.774 14.756 -2.784 1.00 0.00 C ATOM 585 C ASP A 37 4.991 14.053 -2.176 1.00 0.00 C ATOM 586 O ASP A 37 6.057 14.652 -2.023 1.00 0.00 O ATOM 587 CB ASP A 37 3.051 15.572 -1.711 1.00 0.00 C ATOM 588 CG ASP A 37 3.704 16.918 -1.471 1.00 0.00 C ATOM 589 OD1 ASP A 37 3.799 17.712 -2.432 1.00 0.00 O ATOM 590 OD2 ASP A 37 4.120 17.180 -0.323 1.00 0.00 O ATOM 0 H ASP A 37 1.994 13.641 -2.871 1.00 0.00 H new ATOM 0 HA ASP A 37 4.117 15.430 -3.569 1.00 0.00 H new ATOM 0 HB2 ASP A 37 2.014 15.723 -2.010 1.00 0.00 H new ATOM 0 HB3 ASP A 37 3.035 15.008 -0.779 1.00 0.00 H new ATOM 595 N ALA A 38 4.817 12.780 -1.820 1.00 0.00 N ATOM 596 CA ALA A 38 5.872 11.981 -1.218 1.00 0.00 C ATOM 597 C ALA A 38 6.555 11.067 -2.242 1.00 0.00 C ATOM 598 O ALA A 38 6.699 9.865 -2.017 1.00 0.00 O ATOM 599 CB ALA A 38 5.284 11.157 -0.082 1.00 0.00 C ATOM 0 H ALA A 38 3.938 12.278 -1.943 1.00 0.00 H new ATOM 0 HA ALA A 38 6.637 12.656 -0.833 1.00 0.00 H new ATOM 0 HB1 ALA A 38 6.069 10.555 0.375 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.856 11.823 0.667 1.00 0.00 H new ATOM 0 HB3 ALA A 38 4.505 10.502 -0.473 1.00 0.00 H new ATOM 605 N LEU A 39 6.989 11.648 -3.359 1.00 0.00 N ATOM 606 CA LEU A 39 7.678 10.890 -4.412 1.00 0.00 C ATOM 607 C LEU A 39 8.990 10.300 -3.849 1.00 0.00 C ATOM 608 O LEU A 39 9.094 10.159 -2.632 1.00 0.00 O ATOM 609 CB LEU A 39 7.883 11.774 -5.649 1.00 0.00 C ATOM 610 CG LEU A 39 6.598 12.367 -6.248 1.00 0.00 C ATOM 611 CD1 LEU A 39 6.828 12.751 -7.702 1.00 0.00 C ATOM 612 CD2 LEU A 39 5.432 11.383 -6.144 1.00 0.00 C ATOM 0 H LEU A 39 6.878 12.641 -3.562 1.00 0.00 H new ATOM 0 HA LEU A 39 7.068 10.047 -4.738 1.00 0.00 H new ATOM 0 HB2 LEU A 39 8.553 12.592 -5.385 1.00 0.00 H new ATOM 0 HB3 LEU A 39 8.386 11.186 -6.417 1.00 0.00 H new ATOM 0 HG LEU A 39 6.340 13.259 -5.677 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.911 13.170 -8.117 1.00 0.00 H new ATOM 0 HD12 LEU A 39 7.625 13.492 -7.761 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.113 11.866 -8.271 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.538 11.832 -6.576 1.00 0.00 H new ATOM 0 HD22 LEU A 39 5.678 10.469 -6.685 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.249 11.146 -5.096 1.00 0.00 H new ATOM 624 N PRO A 40 10.009 9.906 -4.676 1.00 0.00 N ATOM 625 CA PRO A 40 11.246 9.313 -4.159 1.00 0.00 C ATOM 626 C PRO A 40 11.626 9.792 -2.759 1.00 0.00 C ATOM 627 O PRO A 40 12.101 10.912 -2.574 1.00 0.00 O ATOM 628 CB PRO A 40 12.276 9.753 -5.186 1.00 0.00 C ATOM 629 CG PRO A 40 11.529 9.749 -6.479 1.00 0.00 C ATOM 630 CD PRO A 40 10.065 9.971 -6.155 1.00 0.00 C ATOM 0 HA PRO A 40 11.157 8.233 -4.039 1.00 0.00 H new ATOM 0 HB2 PRO A 40 12.669 10.743 -4.956 1.00 0.00 H new ATOM 0 HB3 PRO A 40 13.126 9.071 -5.215 1.00 0.00 H new ATOM 0 HG2 PRO A 40 11.900 10.533 -7.139 1.00 0.00 H new ATOM 0 HG3 PRO A 40 11.668 8.802 -7.000 1.00 0.00 H new ATOM 0 HD2 PRO A 40 9.716 10.935 -6.525 1.00 0.00 H new ATOM 0 HD3 PRO A 40 9.435 9.208 -6.612 1.00 0.00 H new ATOM 638 N ILE A 41 11.409 8.915 -1.785 1.00 0.00 N ATOM 639 CA ILE A 41 11.720 9.202 -0.391 1.00 0.00 C ATOM 640 C ILE A 41 12.147 7.916 0.313 1.00 0.00 C ATOM 641 O ILE A 41 11.724 6.827 -0.068 1.00 0.00 O ATOM 642 CB ILE A 41 10.511 9.836 0.344 1.00 0.00 C ATOM 643 CG1 ILE A 41 10.320 11.292 -0.096 1.00 0.00 C ATOM 644 CG2 ILE A 41 10.696 9.767 1.856 1.00 0.00 C ATOM 645 CD1 ILE A 41 9.207 12.014 0.638 1.00 0.00 C ATOM 0 H ILE A 41 11.014 7.988 -1.940 1.00 0.00 H new ATOM 0 HA ILE A 41 12.537 9.923 -0.366 1.00 0.00 H new ATOM 0 HB ILE A 41 9.620 9.267 0.079 1.00 0.00 H new ATOM 0 HG12 ILE A 41 11.254 11.833 0.057 1.00 0.00 H new ATOM 0 HG13 ILE A 41 10.111 11.314 -1.165 1.00 0.00 H new ATOM 0 HG21 ILE A 41 9.835 10.218 2.349 1.00 0.00 H new ATOM 0 HG22 ILE A 41 10.786 8.725 2.164 1.00 0.00 H new ATOM 0 HG23 ILE A 41 11.599 10.308 2.137 1.00 0.00 H new ATOM 0 HD11 ILE A 41 9.134 13.038 0.271 1.00 0.00 H new ATOM 0 HD12 ILE A 41 8.263 11.498 0.465 1.00 0.00 H new ATOM 0 HD13 ILE A 41 9.423 12.026 1.706 1.00 0.00 H new ATOM 657 N LYS A 42 12.996 8.044 1.325 1.00 0.00 N ATOM 658 CA LYS A 42 13.483 6.877 2.053 1.00 0.00 C ATOM 659 C LYS A 42 12.528 6.472 3.174 1.00 0.00 C ATOM 660 O LYS A 42 12.018 7.316 3.911 1.00 0.00 O ATOM 661 CB LYS A 42 14.876 7.149 2.623 1.00 0.00 C ATOM 662 CG LYS A 42 15.995 6.505 1.820 1.00 0.00 C ATOM 663 CD LYS A 42 17.138 7.477 1.565 1.00 0.00 C ATOM 664 CE LYS A 42 18.318 7.201 2.483 1.00 0.00 C ATOM 665 NZ LYS A 42 19.001 5.923 2.141 1.00 0.00 N ATOM 0 H LYS A 42 13.360 8.936 1.659 1.00 0.00 H new ATOM 0 HA LYS A 42 13.539 6.049 1.347 1.00 0.00 H new ATOM 0 HB2 LYS A 42 15.040 8.226 2.662 1.00 0.00 H new ATOM 0 HB3 LYS A 42 14.918 6.783 3.649 1.00 0.00 H new ATOM 0 HG2 LYS A 42 16.371 5.633 2.355 1.00 0.00 H new ATOM 0 HG3 LYS A 42 15.601 6.149 0.868 1.00 0.00 H new ATOM 0 HD2 LYS A 42 17.458 7.400 0.526 1.00 0.00 H new ATOM 0 HD3 LYS A 42 16.789 8.499 1.716 1.00 0.00 H new ATOM 0 HE2 LYS A 42 19.031 8.023 2.415 1.00 0.00 H new ATOM 0 HE3 LYS A 42 17.973 7.163 3.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 19.957 5.920 2.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 18.457 5.125 2.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 19.066 5.830 1.107 1.00 0.00 H new ATOM 679 N SER A 43 12.298 5.167 3.292 1.00 0.00 N ATOM 680 CA SER A 43 11.416 4.620 4.315 1.00 0.00 C ATOM 681 C SER A 43 11.935 3.269 4.802 1.00 0.00 C ATOM 682 O SER A 43 12.557 2.526 4.042 1.00 0.00 O ATOM 683 CB SER A 43 9.992 4.475 3.777 1.00 0.00 C ATOM 684 OG SER A 43 9.800 3.227 3.139 1.00 0.00 O ATOM 0 H SER A 43 12.716 4.463 2.684 1.00 0.00 H new ATOM 0 HA SER A 43 11.400 5.312 5.157 1.00 0.00 H new ATOM 0 HB2 SER A 43 9.281 4.578 4.596 1.00 0.00 H new ATOM 0 HB3 SER A 43 9.785 5.280 3.072 1.00 0.00 H new ATOM 0 HG SER A 43 8.883 2.919 3.293 1.00 0.00 H new ATOM 690 N THR A 44 11.680 2.953 6.068 1.00 0.00 N ATOM 691 CA THR A 44 12.129 1.681 6.641 1.00 0.00 C ATOM 692 C THR A 44 10.968 0.694 6.711 1.00 0.00 C ATOM 693 O THR A 44 9.919 0.987 7.284 1.00 0.00 O ATOM 694 CB THR A 44 12.720 1.900 8.037 1.00 0.00 C ATOM 695 OG1 THR A 44 13.021 3.269 8.246 1.00 0.00 O ATOM 696 CG2 THR A 44 13.989 1.109 8.284 1.00 0.00 C ATOM 0 H THR A 44 11.169 3.553 6.716 1.00 0.00 H new ATOM 0 HA THR A 44 12.905 1.267 5.997 1.00 0.00 H new ATOM 0 HB THR A 44 11.954 1.553 8.730 1.00 0.00 H new ATOM 0 HG1 THR A 44 13.396 3.388 9.144 1.00 0.00 H new ATOM 0 HG21 THR A 44 14.354 1.311 9.291 1.00 0.00 H new ATOM 0 HG22 THR A 44 13.780 0.044 8.181 1.00 0.00 H new ATOM 0 HG23 THR A 44 14.747 1.402 7.558 1.00 0.00 H new ATOM 704 N ALA A 45 11.156 -0.469 6.090 1.00 0.00 N ATOM 705 CA ALA A 45 10.119 -1.495 6.045 1.00 0.00 C ATOM 706 C ALA A 45 10.089 -2.373 7.290 1.00 0.00 C ATOM 707 O ALA A 45 11.118 -2.861 7.757 1.00 0.00 O ATOM 708 CB ALA A 45 10.295 -2.370 4.809 1.00 0.00 C ATOM 0 H ALA A 45 12.019 -0.724 5.610 1.00 0.00 H new ATOM 0 HA ALA A 45 9.167 -0.967 6.001 1.00 0.00 H new ATOM 0 HB1 ALA A 45 9.515 -3.131 4.788 1.00 0.00 H new ATOM 0 HB2 ALA A 45 10.224 -1.753 3.913 1.00 0.00 H new ATOM 0 HB3 ALA A 45 11.272 -2.853 4.841 1.00 0.00 H new ATOM 714 N ASN A 46 8.878 -2.599 7.787 1.00 0.00 N ATOM 715 CA ASN A 46 8.659 -3.455 8.946 1.00 0.00 C ATOM 716 C ASN A 46 8.023 -4.767 8.474 1.00 0.00 C ATOM 717 O ASN A 46 7.022 -4.744 7.760 1.00 0.00 O ATOM 718 CB ASN A 46 7.751 -2.764 9.966 1.00 0.00 C ATOM 719 CG ASN A 46 8.529 -2.174 11.127 1.00 0.00 C ATOM 720 OD1 ASN A 46 9.568 -2.702 11.525 1.00 0.00 O ATOM 721 ND2 ASN A 46 8.028 -1.073 11.675 1.00 0.00 N ATOM 0 H ASN A 46 8.025 -2.196 7.400 1.00 0.00 H new ATOM 0 HA ASN A 46 9.613 -3.658 9.432 1.00 0.00 H new ATOM 0 HB2 ASN A 46 7.188 -1.973 9.470 1.00 0.00 H new ATOM 0 HB3 ASN A 46 7.024 -3.482 10.347 1.00 0.00 H new ATOM 0 HD21 ASN A 46 8.507 -0.630 12.459 1.00 0.00 H new ATOM 0 HD22 ASN A 46 7.164 -0.670 11.312 1.00 0.00 H new ATOM 728 N ARG A 47 8.618 -5.905 8.830 1.00 0.00 N ATOM 729 CA ARG A 47 8.095 -7.192 8.381 1.00 0.00 C ATOM 730 C ARG A 47 7.055 -7.777 9.339 1.00 0.00 C ATOM 731 O ARG A 47 7.229 -7.753 10.559 1.00 0.00 O ATOM 732 CB ARG A 47 9.251 -8.175 8.184 1.00 0.00 C ATOM 733 CG ARG A 47 9.637 -8.354 6.722 1.00 0.00 C ATOM 734 CD ARG A 47 9.306 -9.748 6.208 1.00 0.00 C ATOM 735 NE ARG A 47 8.121 -10.323 6.844 1.00 0.00 N ATOM 736 CZ ARG A 47 7.844 -11.625 6.849 1.00 0.00 C ATOM 737 NH1 ARG A 47 8.657 -12.487 6.250 1.00 0.00 N ATOM 738 NH2 ARG A 47 6.751 -12.069 7.452 1.00 0.00 N ATOM 0 H ARG A 47 9.449 -5.962 9.419 1.00 0.00 H new ATOM 0 HA ARG A 47 7.584 -7.023 7.433 1.00 0.00 H new ATOM 0 HB2 ARG A 47 10.119 -7.824 8.743 1.00 0.00 H new ATOM 0 HB3 ARG A 47 8.973 -9.143 8.602 1.00 0.00 H new ATOM 0 HG2 ARG A 47 9.116 -7.612 6.117 1.00 0.00 H new ATOM 0 HG3 ARG A 47 10.705 -8.169 6.604 1.00 0.00 H new ATOM 0 HD2 ARG A 47 9.149 -9.704 5.130 1.00 0.00 H new ATOM 0 HD3 ARG A 47 10.159 -10.405 6.379 1.00 0.00 H new ATOM 0 HE ARG A 47 7.470 -9.691 7.310 1.00 0.00 H new ATOM 0 HH11 ARG A 47 9.500 -12.153 5.782 1.00 0.00 H new ATOM 0 HH12 ARG A 47 8.439 -13.483 6.258 1.00 0.00 H new ATOM 0 HH21 ARG A 47 6.121 -11.413 7.913 1.00 0.00 H new ATOM 0 HH22 ARG A 47 6.540 -13.067 7.455 1.00 0.00 H new ATOM 752 N TRP A 48 5.979 -8.320 8.764 1.00 0.00 N ATOM 753 CA TRP A 48 4.903 -8.940 9.532 1.00 0.00 C ATOM 754 C TRP A 48 4.273 -10.060 8.710 1.00 0.00 C ATOM 755 O TRP A 48 4.242 -9.984 7.483 1.00 0.00 O ATOM 756 CB TRP A 48 3.833 -7.916 9.928 1.00 0.00 C ATOM 757 CG TRP A 48 2.661 -8.534 10.634 1.00 0.00 C ATOM 758 CD1 TRP A 48 1.651 -9.261 10.069 1.00 0.00 C ATOM 759 CD2 TRP A 48 2.383 -8.484 12.037 1.00 0.00 C ATOM 760 NE1 TRP A 48 0.761 -9.666 11.036 1.00 0.00 N ATOM 761 CE2 TRP A 48 1.189 -9.199 12.255 1.00 0.00 C ATOM 762 CE3 TRP A 48 3.029 -7.900 13.132 1.00 0.00 C ATOM 763 CZ2 TRP A 48 0.633 -9.347 13.523 1.00 0.00 C ATOM 764 CZ3 TRP A 48 2.475 -8.049 14.389 1.00 0.00 C ATOM 765 CH2 TRP A 48 1.287 -8.767 14.575 1.00 0.00 C ATOM 0 H TRP A 48 5.832 -8.341 7.755 1.00 0.00 H new ATOM 0 HA TRP A 48 5.328 -9.347 10.449 1.00 0.00 H new ATOM 0 HB2 TRP A 48 4.282 -7.161 10.574 1.00 0.00 H new ATOM 0 HB3 TRP A 48 3.481 -7.402 9.033 1.00 0.00 H new ATOM 0 HD1 TRP A 48 1.564 -9.485 9.016 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -0.079 -10.222 10.875 1.00 0.00 H new ATOM 0 HE3 TRP A 48 3.944 -7.343 12.997 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -0.283 -9.900 13.671 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 2.966 -7.605 15.242 1.00 0.00 H new ATOM 0 HH2 TRP A 48 0.879 -8.865 15.570 1.00 0.00 H new ATOM 776 N GLY A 49 3.788 -11.101 9.387 1.00 0.00 N ATOM 777 CA GLY A 49 3.174 -12.229 8.697 1.00 0.00 C ATOM 778 C GLY A 49 2.342 -11.811 7.498 1.00 0.00 C ATOM 779 O GLY A 49 1.161 -11.493 7.635 1.00 0.00 O ATOM 0 H GLY A 49 3.809 -11.184 10.403 1.00 0.00 H new ATOM 0 HA2 GLY A 49 3.955 -12.915 8.369 1.00 0.00 H new ATOM 0 HA3 GLY A 49 2.543 -12.776 9.397 1.00 0.00 H new ATOM 783 N ASP A 50 2.970 -11.804 6.319 1.00 0.00 N ATOM 784 CA ASP A 50 2.306 -11.418 5.069 1.00 0.00 C ATOM 785 C ASP A 50 2.195 -9.899 4.935 1.00 0.00 C ATOM 786 O ASP A 50 2.395 -9.351 3.851 1.00 0.00 O ATOM 787 CB ASP A 50 0.915 -12.050 4.965 1.00 0.00 C ATOM 788 CG ASP A 50 0.224 -11.707 3.661 1.00 0.00 C ATOM 789 OD1 ASP A 50 0.855 -11.862 2.595 1.00 0.00 O ATOM 790 OD2 ASP A 50 -0.948 -11.276 3.706 1.00 0.00 O ATOM 0 H ASP A 50 3.949 -12.065 6.203 1.00 0.00 H new ATOM 0 HA ASP A 50 2.925 -11.790 4.253 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.003 -13.133 5.053 1.00 0.00 H new ATOM 0 HB3 ASP A 50 0.301 -11.711 5.799 1.00 0.00 H new ATOM 795 N GLU A 51 1.865 -9.224 6.031 1.00 0.00 N ATOM 796 CA GLU A 51 1.717 -7.773 6.017 1.00 0.00 C ATOM 797 C GLU A 51 3.062 -7.074 6.189 1.00 0.00 C ATOM 798 O GLU A 51 3.985 -7.613 6.799 1.00 0.00 O ATOM 799 CB GLU A 51 0.751 -7.329 7.121 1.00 0.00 C ATOM 800 CG GLU A 51 -0.502 -6.647 6.596 1.00 0.00 C ATOM 801 CD GLU A 51 -0.797 -5.338 7.304 1.00 0.00 C ATOM 802 OE1 GLU A 51 -0.255 -5.126 8.409 1.00 0.00 O ATOM 803 OE2 GLU A 51 -1.569 -4.527 6.752 1.00 0.00 O ATOM 0 H GLU A 51 1.695 -9.657 6.939 1.00 0.00 H new ATOM 0 HA GLU A 51 1.311 -7.489 5.046 1.00 0.00 H new ATOM 0 HB2 GLU A 51 0.461 -8.199 7.710 1.00 0.00 H new ATOM 0 HB3 GLU A 51 1.271 -6.647 7.794 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -0.389 -6.460 5.528 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -1.352 -7.319 6.714 1.00 0.00 H new ATOM 810 N ILE A 52 3.156 -5.865 5.649 1.00 0.00 N ATOM 811 CA ILE A 52 4.375 -5.069 5.737 1.00 0.00 C ATOM 812 C ILE A 52 4.025 -3.585 5.661 1.00 0.00 C ATOM 813 O ILE A 52 3.483 -3.120 4.658 1.00 0.00 O ATOM 814 CB ILE A 52 5.377 -5.446 4.609 1.00 0.00 C ATOM 815 CG1 ILE A 52 6.362 -6.522 5.105 1.00 0.00 C ATOM 816 CG2 ILE A 52 6.142 -4.223 4.105 1.00 0.00 C ATOM 817 CD1 ILE A 52 6.301 -7.843 4.354 1.00 0.00 C ATOM 0 H ILE A 52 2.396 -5.411 5.142 1.00 0.00 H new ATOM 0 HA ILE A 52 4.856 -5.279 6.692 1.00 0.00 H new ATOM 0 HB ILE A 52 4.801 -5.846 3.775 1.00 0.00 H new ATOM 0 HG12 ILE A 52 7.375 -6.127 5.033 1.00 0.00 H new ATOM 0 HG13 ILE A 52 6.168 -6.712 6.161 1.00 0.00 H new ATOM 0 HG21 ILE A 52 6.833 -4.525 3.318 1.00 0.00 H new ATOM 0 HG22 ILE A 52 5.438 -3.491 3.709 1.00 0.00 H new ATOM 0 HG23 ILE A 52 6.702 -3.779 4.928 1.00 0.00 H new ATOM 0 HD11 ILE A 52 7.030 -8.535 4.775 1.00 0.00 H new ATOM 0 HD12 ILE A 52 5.302 -8.268 4.446 1.00 0.00 H new ATOM 0 HD13 ILE A 52 6.527 -7.674 3.301 1.00 0.00 H new ATOM 829 N TYR A 53 4.321 -2.849 6.726 1.00 0.00 N ATOM 830 CA TYR A 53 4.010 -1.419 6.763 1.00 0.00 C ATOM 831 C TYR A 53 5.241 -0.569 7.047 1.00 0.00 C ATOM 832 O TYR A 53 6.095 -0.930 7.854 1.00 0.00 O ATOM 833 CB TYR A 53 2.924 -1.128 7.808 1.00 0.00 C ATOM 834 CG TYR A 53 3.309 -1.526 9.220 1.00 0.00 C ATOM 835 CD1 TYR A 53 4.170 -0.740 9.978 1.00 0.00 C ATOM 836 CD2 TYR A 53 2.808 -2.691 9.794 1.00 0.00 C ATOM 837 CE1 TYR A 53 4.520 -1.103 11.266 1.00 0.00 C ATOM 838 CE2 TYR A 53 3.155 -3.058 11.081 1.00 0.00 C ATOM 839 CZ TYR A 53 4.010 -2.261 11.811 1.00 0.00 C ATOM 840 OH TYR A 53 4.356 -2.625 13.093 1.00 0.00 O ATOM 0 H TYR A 53 4.770 -3.210 7.567 1.00 0.00 H new ATOM 0 HA TYR A 53 3.642 -1.150 5.773 1.00 0.00 H new ATOM 0 HB2 TYR A 53 2.693 -0.063 7.791 1.00 0.00 H new ATOM 0 HB3 TYR A 53 2.013 -1.656 7.528 1.00 0.00 H new ATOM 0 HD1 TYR A 53 4.572 0.168 9.554 1.00 0.00 H new ATOM 0 HD2 TYR A 53 2.138 -3.318 9.225 1.00 0.00 H new ATOM 0 HE1 TYR A 53 5.190 -0.482 11.842 1.00 0.00 H new ATOM 0 HE2 TYR A 53 2.758 -3.965 11.512 1.00 0.00 H new ATOM 0 HH TYR A 53 3.910 -3.466 13.326 1.00 0.00 H new ATOM 850 N PHE A 54 5.305 0.576 6.374 1.00 0.00 N ATOM 851 CA PHE A 54 6.409 1.509 6.540 1.00 0.00 C ATOM 852 C PHE A 54 5.895 2.945 6.532 1.00 0.00 C ATOM 853 O PHE A 54 4.949 3.270 5.814 1.00 0.00 O ATOM 854 CB PHE A 54 7.453 1.316 5.430 1.00 0.00 C ATOM 855 CG PHE A 54 6.976 1.696 4.048 1.00 0.00 C ATOM 856 CD1 PHE A 54 6.678 3.015 3.732 1.00 0.00 C ATOM 857 CD2 PHE A 54 6.825 0.733 3.062 1.00 0.00 C ATOM 858 CE1 PHE A 54 6.242 3.361 2.468 1.00 0.00 C ATOM 859 CE2 PHE A 54 6.389 1.073 1.795 1.00 0.00 C ATOM 860 CZ PHE A 54 6.097 2.390 1.498 1.00 0.00 C ATOM 0 H PHE A 54 4.598 0.879 5.704 1.00 0.00 H new ATOM 0 HA PHE A 54 6.884 1.310 7.501 1.00 0.00 H new ATOM 0 HB2 PHE A 54 8.335 1.909 5.672 1.00 0.00 H new ATOM 0 HB3 PHE A 54 7.764 0.271 5.419 1.00 0.00 H new ATOM 0 HD1 PHE A 54 6.789 3.781 4.485 1.00 0.00 H new ATOM 0 HD2 PHE A 54 7.052 -0.299 3.287 1.00 0.00 H new ATOM 0 HE1 PHE A 54 6.014 4.392 2.239 1.00 0.00 H new ATOM 0 HE2 PHE A 54 6.277 0.310 1.039 1.00 0.00 H new ATOM 0 HZ PHE A 54 5.756 2.659 0.509 1.00 0.00 H new ATOM 870 N THR A 55 6.530 3.805 7.320 1.00 0.00 N ATOM 871 CA THR A 55 6.135 5.211 7.380 1.00 0.00 C ATOM 872 C THR A 55 6.952 6.025 6.381 1.00 0.00 C ATOM 873 O THR A 55 8.096 5.683 6.082 1.00 0.00 O ATOM 874 CB THR A 55 6.331 5.762 8.794 1.00 0.00 C ATOM 875 OG1 THR A 55 6.256 4.721 9.751 1.00 0.00 O ATOM 876 CG2 THR A 55 5.309 6.810 9.176 1.00 0.00 C ATOM 0 H THR A 55 7.315 3.558 7.923 1.00 0.00 H new ATOM 0 HA THR A 55 5.079 5.288 7.122 1.00 0.00 H new ATOM 0 HB THR A 55 7.318 6.226 8.789 1.00 0.00 H new ATOM 0 HG1 THR A 55 6.385 5.092 10.649 1.00 0.00 H new ATOM 0 HG21 THR A 55 5.506 7.158 10.190 1.00 0.00 H new ATOM 0 HG22 THR A 55 5.374 7.650 8.485 1.00 0.00 H new ATOM 0 HG23 THR A 55 4.309 6.378 9.129 1.00 0.00 H new ATOM 884 N THR A 56 6.362 7.094 5.854 1.00 0.00 N ATOM 885 CA THR A 56 7.053 7.933 4.876 1.00 0.00 C ATOM 886 C THR A 56 7.114 9.395 5.320 1.00 0.00 C ATOM 887 O THR A 56 7.578 10.256 4.572 1.00 0.00 O ATOM 888 CB THR A 56 6.365 7.833 3.515 1.00 0.00 C ATOM 889 OG1 THR A 56 5.123 7.160 3.627 1.00 0.00 O ATOM 890 CG2 THR A 56 7.192 7.100 2.479 1.00 0.00 C ATOM 0 H THR A 56 5.416 7.399 6.084 1.00 0.00 H new ATOM 0 HA THR A 56 8.076 7.566 4.796 1.00 0.00 H new ATOM 0 HB THR A 56 6.227 8.863 3.186 1.00 0.00 H new ATOM 0 HG1 THR A 56 4.698 7.108 2.745 1.00 0.00 H new ATOM 0 HG21 THR A 56 6.646 7.064 1.536 1.00 0.00 H new ATOM 0 HG22 THR A 56 8.137 7.623 2.332 1.00 0.00 H new ATOM 0 HG23 THR A 56 7.389 6.085 2.823 1.00 0.00 H new ATOM 898 N GLN A 57 6.647 9.666 6.536 1.00 0.00 N ATOM 899 CA GLN A 57 6.648 11.027 7.090 1.00 0.00 C ATOM 900 C GLN A 57 5.433 11.831 6.622 1.00 0.00 C ATOM 901 O GLN A 57 5.190 12.932 7.118 1.00 0.00 O ATOM 902 CB GLN A 57 7.944 11.778 6.735 1.00 0.00 C ATOM 903 CG GLN A 57 9.194 10.912 6.816 1.00 0.00 C ATOM 904 CD GLN A 57 10.175 11.398 7.865 1.00 0.00 C ATOM 905 OE1 GLN A 57 9.829 12.198 8.733 1.00 0.00 O ATOM 906 NE2 GLN A 57 11.410 10.915 7.788 1.00 0.00 N ATOM 0 H GLN A 57 6.260 8.961 7.163 1.00 0.00 H new ATOM 0 HA GLN A 57 6.592 10.924 8.174 1.00 0.00 H new ATOM 0 HB2 GLN A 57 7.856 12.180 5.726 1.00 0.00 H new ATOM 0 HB3 GLN A 57 8.057 12.628 7.408 1.00 0.00 H new ATOM 0 HG2 GLN A 57 8.906 9.885 7.042 1.00 0.00 H new ATOM 0 HG3 GLN A 57 9.685 10.899 5.843 1.00 0.00 H new ATOM 0 HE21 GLN A 57 11.654 10.253 7.051 1.00 0.00 H new ATOM 0 HE22 GLN A 57 12.115 11.206 8.466 1.00 0.00 H new ATOM 915 N VAL A 58 4.659 11.284 5.683 1.00 0.00 N ATOM 916 CA VAL A 58 3.471 11.974 5.194 1.00 0.00 C ATOM 917 C VAL A 58 2.285 11.686 6.108 1.00 0.00 C ATOM 918 O VAL A 58 1.867 10.537 6.254 1.00 0.00 O ATOM 919 CB VAL A 58 3.125 11.570 3.742 1.00 0.00 C ATOM 920 CG1 VAL A 58 2.832 10.080 3.635 1.00 0.00 C ATOM 921 CG2 VAL A 58 1.948 12.386 3.227 1.00 0.00 C ATOM 0 H VAL A 58 4.833 10.376 5.252 1.00 0.00 H new ATOM 0 HA VAL A 58 3.687 13.042 5.199 1.00 0.00 H new ATOM 0 HB VAL A 58 3.995 11.783 3.120 1.00 0.00 H new ATOM 0 HG11 VAL A 58 2.593 9.830 2.602 1.00 0.00 H new ATOM 0 HG12 VAL A 58 3.707 9.513 3.952 1.00 0.00 H new ATOM 0 HG13 VAL A 58 1.986 9.829 4.275 1.00 0.00 H new ATOM 0 HG21 VAL A 58 1.719 12.088 2.204 1.00 0.00 H new ATOM 0 HG22 VAL A 58 1.078 12.210 3.860 1.00 0.00 H new ATOM 0 HG23 VAL A 58 2.203 13.446 3.248 1.00 0.00 H new ATOM 931 N ALA A 59 1.762 12.730 6.746 1.00 0.00 N ATOM 932 CA ALA A 59 0.640 12.567 7.667 1.00 0.00 C ATOM 933 C ALA A 59 -0.663 13.106 7.088 1.00 0.00 C ATOM 934 O ALA A 59 -0.967 14.292 7.206 1.00 0.00 O ATOM 935 CB ALA A 59 0.937 13.238 9.004 1.00 0.00 C ATOM 0 H ALA A 59 2.093 13.689 6.644 1.00 0.00 H new ATOM 0 HA ALA A 59 0.512 11.496 7.825 1.00 0.00 H new ATOM 0 HB1 ALA A 59 0.088 13.104 9.675 1.00 0.00 H new ATOM 0 HB2 ALA A 59 1.825 12.787 9.448 1.00 0.00 H new ATOM 0 HB3 ALA A 59 1.111 14.302 8.846 1.00 0.00 H new ATOM 941 N VAL A 60 -1.440 12.214 6.482 1.00 0.00 N ATOM 942 CA VAL A 60 -2.727 12.579 5.904 1.00 0.00 C ATOM 943 C VAL A 60 -3.828 11.700 6.492 1.00 0.00 C ATOM 944 O VAL A 60 -3.921 10.517 6.170 1.00 0.00 O ATOM 945 CB VAL A 60 -2.710 12.430 4.363 1.00 0.00 C ATOM 946 CG1 VAL A 60 -2.239 11.036 3.960 1.00 0.00 C ATOM 947 CG2 VAL A 60 -4.081 12.728 3.767 1.00 0.00 C ATOM 0 H VAL A 60 -1.198 11.228 6.379 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.923 13.624 6.146 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.005 13.159 3.964 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -2.235 10.953 2.873 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.231 10.868 4.341 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.914 10.289 4.378 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.039 12.616 2.684 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.814 12.033 4.176 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -4.371 13.749 4.015 1.00 0.00 H new ATOM 957 N GLU A 61 -4.654 12.273 7.369 1.00 0.00 N ATOM 958 CA GLU A 61 -5.725 11.510 8.000 1.00 0.00 C ATOM 959 C GLU A 61 -7.074 12.215 7.869 1.00 0.00 C ATOM 960 O GLU A 61 -7.179 13.425 8.066 1.00 0.00 O ATOM 961 CB GLU A 61 -5.399 11.272 9.478 1.00 0.00 C ATOM 962 CG GLU A 61 -5.180 9.809 9.822 1.00 0.00 C ATOM 963 CD GLU A 61 -5.012 9.579 11.311 1.00 0.00 C ATOM 964 OE1 GLU A 61 -3.894 9.794 11.822 1.00 0.00 O ATOM 965 OE2 GLU A 61 -6.000 9.180 11.965 1.00 0.00 O ATOM 0 H GLU A 61 -4.601 13.251 7.654 1.00 0.00 H new ATOM 0 HA GLU A 61 -5.799 10.552 7.485 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -4.504 11.837 9.740 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.213 11.663 10.089 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -6.026 9.224 9.461 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -4.295 9.445 9.300 1.00 0.00 H new ATOM 972 N LYS A 62 -8.102 11.438 7.542 1.00 0.00 N ATOM 973 CA LYS A 62 -9.452 11.967 7.392 1.00 0.00 C ATOM 974 C LYS A 62 -10.481 10.853 7.586 1.00 0.00 C ATOM 975 O LYS A 62 -10.134 9.672 7.552 1.00 0.00 O ATOM 976 CB LYS A 62 -9.619 12.608 6.009 1.00 0.00 C ATOM 977 CG LYS A 62 -11.028 13.112 5.726 1.00 0.00 C ATOM 978 CD LYS A 62 -11.052 14.053 4.533 1.00 0.00 C ATOM 979 CE LYS A 62 -11.041 13.288 3.219 1.00 0.00 C ATOM 980 NZ LYS A 62 -10.297 14.020 2.156 1.00 0.00 N ATOM 0 H LYS A 62 -8.024 10.435 7.375 1.00 0.00 H new ATOM 0 HA LYS A 62 -9.615 12.730 8.153 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -8.921 13.441 5.919 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -9.345 11.879 5.246 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -11.688 12.265 5.536 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -11.415 13.627 6.605 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -11.941 14.681 4.582 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -10.189 14.718 4.575 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -10.586 12.310 3.372 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -12.066 13.115 2.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -9.859 13.337 1.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -10.955 14.628 1.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -9.557 14.606 2.591 1.00 0.00 H new ATOM 994 N GLU A 63 -11.743 11.226 7.792 1.00 0.00 N ATOM 995 CA GLU A 63 -12.801 10.241 7.992 1.00 0.00 C ATOM 996 C GLU A 63 -13.511 9.933 6.679 1.00 0.00 C ATOM 997 O GLU A 63 -14.482 10.597 6.315 1.00 0.00 O ATOM 998 CB GLU A 63 -13.816 10.742 9.021 1.00 0.00 C ATOM 999 CG GLU A 63 -13.194 11.533 10.162 1.00 0.00 C ATOM 1000 CD GLU A 63 -13.161 13.023 9.889 1.00 0.00 C ATOM 1001 OE1 GLU A 63 -12.192 13.488 9.251 1.00 0.00 O ATOM 1002 OE2 GLU A 63 -14.103 13.727 10.311 1.00 0.00 O ATOM 0 H GLU A 63 -12.055 12.197 7.824 1.00 0.00 H new ATOM 0 HA GLU A 63 -12.339 9.327 8.364 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -14.552 11.368 8.516 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -14.353 9.888 9.434 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -13.757 11.348 11.077 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -12.179 11.177 10.335 1.00 0.00 H new ATOM 1009 N GLU A 64 -13.020 8.923 5.970 1.00 0.00 N ATOM 1010 CA GLU A 64 -13.607 8.528 4.696 1.00 0.00 C ATOM 1011 C GLU A 64 -13.015 7.200 4.210 1.00 0.00 C ATOM 1012 O GLU A 64 -11.872 6.871 4.526 1.00 0.00 O ATOM 1013 CB GLU A 64 -13.377 9.630 3.652 1.00 0.00 C ATOM 1014 CG GLU A 64 -13.502 9.163 2.210 1.00 0.00 C ATOM 1015 CD GLU A 64 -14.075 10.230 1.298 1.00 0.00 C ATOM 1016 OE1 GLU A 64 -14.881 11.053 1.782 1.00 0.00 O ATOM 1017 OE2 GLU A 64 -13.718 10.243 0.101 1.00 0.00 O ATOM 0 H GLU A 64 -12.217 8.363 6.256 1.00 0.00 H new ATOM 0 HA GLU A 64 -14.679 8.388 4.836 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -14.094 10.433 3.825 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -12.383 10.052 3.800 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -12.520 8.865 1.842 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -14.138 8.279 2.172 1.00 0.00 H new ATOM 1024 N ASN A 65 -13.794 6.444 3.433 1.00 0.00 N ATOM 1025 CA ASN A 65 -13.336 5.162 2.901 1.00 0.00 C ATOM 1026 C ASN A 65 -13.180 4.132 4.017 1.00 0.00 C ATOM 1027 O ASN A 65 -14.057 3.292 4.223 1.00 0.00 O ATOM 1028 CB ASN A 65 -12.007 5.335 2.150 1.00 0.00 C ATOM 1029 CG ASN A 65 -11.717 4.178 1.216 1.00 0.00 C ATOM 1030 OD1 ASN A 65 -12.426 3.172 1.217 1.00 0.00 O ATOM 1031 ND2 ASN A 65 -10.669 4.315 0.413 1.00 0.00 N ATOM 0 H ASN A 65 -14.743 6.698 3.160 1.00 0.00 H new ATOM 0 HA ASN A 65 -14.090 4.799 2.202 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -12.034 6.262 1.578 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -11.195 5.429 2.871 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -10.424 3.568 -0.237 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -10.109 5.167 0.446 1.00 0.00 H new ATOM 1038 N SER A 66 -12.061 4.218 4.737 1.00 0.00 N ATOM 1039 CA SER A 66 -11.755 3.311 5.854 1.00 0.00 C ATOM 1040 C SER A 66 -12.490 1.967 5.753 1.00 0.00 C ATOM 1041 O SER A 66 -13.510 1.765 6.411 1.00 0.00 O ATOM 1042 CB SER A 66 -12.115 3.984 7.179 1.00 0.00 C ATOM 1043 OG SER A 66 -11.088 4.864 7.601 1.00 0.00 O ATOM 0 H SER A 66 -11.338 4.917 4.566 1.00 0.00 H new ATOM 0 HA SER A 66 -10.686 3.101 5.806 1.00 0.00 H new ATOM 0 HB2 SER A 66 -13.048 4.536 7.068 1.00 0.00 H new ATOM 0 HB3 SER A 66 -12.283 3.224 7.942 1.00 0.00 H new ATOM 0 HG SER A 66 -11.344 5.282 8.449 1.00 0.00 H new ATOM 1049 N LYS A 67 -11.964 1.043 4.945 1.00 0.00 N ATOM 1050 CA LYS A 67 -12.586 -0.281 4.805 1.00 0.00 C ATOM 1051 C LYS A 67 -11.813 -1.324 5.608 1.00 0.00 C ATOM 1052 O LYS A 67 -10.646 -1.120 5.940 1.00 0.00 O ATOM 1053 CB LYS A 67 -12.699 -0.720 3.332 1.00 0.00 C ATOM 1054 CG LYS A 67 -11.419 -0.590 2.521 1.00 0.00 C ATOM 1055 CD LYS A 67 -10.483 -1.766 2.753 1.00 0.00 C ATOM 1056 CE LYS A 67 -9.114 -1.514 2.148 1.00 0.00 C ATOM 1057 NZ LYS A 67 -8.153 -2.613 2.453 1.00 0.00 N ATOM 0 H LYS A 67 -11.123 1.181 4.385 1.00 0.00 H new ATOM 0 HA LYS A 67 -13.599 -0.202 5.200 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -13.025 -1.760 3.303 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -13.477 -0.128 2.851 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -11.665 -0.525 1.461 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -10.912 0.337 2.788 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -10.382 -1.946 3.823 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -10.914 -2.667 2.317 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -9.210 -1.407 1.068 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -8.719 -0.572 2.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -7.376 -2.243 3.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -8.644 -3.370 2.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -7.767 -2.993 1.565 1.00 0.00 H new ATOM 1071 N ASP A 68 -12.472 -2.438 5.937 1.00 0.00 N ATOM 1072 CA ASP A 68 -11.833 -3.494 6.725 1.00 0.00 C ATOM 1073 C ASP A 68 -11.796 -4.837 5.992 1.00 0.00 C ATOM 1074 O ASP A 68 -11.194 -5.793 6.483 1.00 0.00 O ATOM 1075 CB ASP A 68 -12.556 -3.663 8.062 1.00 0.00 C ATOM 1076 CG ASP A 68 -14.062 -3.725 7.903 1.00 0.00 C ATOM 1077 OD1 ASP A 68 -14.699 -2.650 7.854 1.00 0.00 O ATOM 1078 OD2 ASP A 68 -14.606 -4.846 7.825 1.00 0.00 O ATOM 0 H ASP A 68 -13.438 -2.631 5.673 1.00 0.00 H new ATOM 0 HA ASP A 68 -10.802 -3.183 6.891 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -12.207 -4.574 8.547 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -12.297 -2.833 8.719 1.00 0.00 H new ATOM 1083 N VAL A 69 -12.431 -4.922 4.825 1.00 0.00 N ATOM 1084 CA VAL A 69 -12.440 -6.173 4.066 1.00 0.00 C ATOM 1085 C VAL A 69 -12.012 -5.949 2.619 1.00 0.00 C ATOM 1086 O VAL A 69 -12.346 -4.931 2.014 1.00 0.00 O ATOM 1087 CB VAL A 69 -13.832 -6.849 4.097 1.00 0.00 C ATOM 1088 CG1 VAL A 69 -14.811 -6.153 3.157 1.00 0.00 C ATOM 1089 CG2 VAL A 69 -13.709 -8.325 3.752 1.00 0.00 C ATOM 0 H VAL A 69 -12.939 -4.153 4.388 1.00 0.00 H new ATOM 0 HA VAL A 69 -11.721 -6.836 4.547 1.00 0.00 H new ATOM 0 HB VAL A 69 -14.228 -6.758 5.108 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -15.778 -6.653 3.204 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -14.926 -5.112 3.458 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -14.429 -6.196 2.137 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -14.695 -8.788 3.778 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -13.284 -8.431 2.754 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -13.059 -8.815 4.477 1.00 0.00 H new ATOM 1099 N VAL A 70 -11.270 -6.910 2.068 1.00 0.00 N ATOM 1100 CA VAL A 70 -10.797 -6.807 0.685 1.00 0.00 C ATOM 1101 C VAL A 70 -10.438 -8.172 0.096 1.00 0.00 C ATOM 1102 O VAL A 70 -10.163 -9.123 0.827 1.00 0.00 O ATOM 1103 CB VAL A 70 -9.567 -5.881 0.575 1.00 0.00 C ATOM 1104 CG1 VAL A 70 -9.930 -4.463 0.982 1.00 0.00 C ATOM 1105 CG2 VAL A 70 -8.396 -6.398 1.414 1.00 0.00 C ATOM 0 H VAL A 70 -10.985 -7.762 2.552 1.00 0.00 H new ATOM 0 HA VAL A 70 -11.624 -6.383 0.116 1.00 0.00 H new ATOM 0 HB VAL A 70 -9.249 -5.876 -0.468 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -9.051 -3.824 0.898 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -10.716 -4.086 0.327 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -10.284 -4.460 2.013 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -7.548 -5.721 1.312 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -8.694 -6.451 2.461 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -8.111 -7.391 1.067 1.00 0.00 H new ATOM 1115 N GLU A 71 -10.443 -8.254 -1.237 1.00 0.00 N ATOM 1116 CA GLU A 71 -10.117 -9.502 -1.932 1.00 0.00 C ATOM 1117 C GLU A 71 -8.616 -9.623 -2.186 1.00 0.00 C ATOM 1118 O GLU A 71 -7.906 -8.626 -2.314 1.00 0.00 O ATOM 1119 CB GLU A 71 -10.878 -9.615 -3.263 1.00 0.00 C ATOM 1120 CG GLU A 71 -12.288 -9.065 -3.202 1.00 0.00 C ATOM 1121 CD GLU A 71 -12.864 -8.773 -4.574 1.00 0.00 C ATOM 1122 OE1 GLU A 71 -13.440 -9.698 -5.184 1.00 0.00 O ATOM 1123 OE2 GLU A 71 -12.737 -7.621 -5.037 1.00 0.00 O ATOM 0 H GLU A 71 -10.668 -7.474 -1.855 1.00 0.00 H new ATOM 0 HA GLU A 71 -10.427 -10.319 -1.280 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -10.323 -9.084 -4.036 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -10.918 -10.663 -3.562 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -12.930 -9.780 -2.688 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -12.291 -8.150 -2.609 1.00 0.00 H new ATOM 1130 N LEU A 72 -8.153 -10.864 -2.243 1.00 0.00 N ATOM 1131 CA LEU A 72 -6.736 -11.173 -2.468 1.00 0.00 C ATOM 1132 C LEU A 72 -6.167 -10.426 -3.680 1.00 0.00 C ATOM 1133 O LEU A 72 -6.699 -10.526 -4.785 1.00 0.00 O ATOM 1134 CB LEU A 72 -6.569 -12.686 -2.682 1.00 0.00 C ATOM 1135 CG LEU A 72 -5.135 -13.187 -2.913 1.00 0.00 C ATOM 1136 CD1 LEU A 72 -4.539 -13.717 -1.617 1.00 0.00 C ATOM 1137 CD2 LEU A 72 -5.123 -14.275 -3.979 1.00 0.00 C ATOM 0 H LEU A 72 -8.743 -11.689 -2.135 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.184 -10.848 -1.586 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.975 -13.201 -1.812 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.176 -12.979 -3.539 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.528 -12.349 -3.257 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.523 -14.067 -1.800 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -4.520 -12.921 -0.873 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.147 -14.543 -1.248 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.101 -14.622 -4.134 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.744 -15.110 -3.654 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -5.515 -13.873 -4.913 1.00 0.00 H new ATOM 1149 N GLY A 73 -5.066 -9.701 -3.469 1.00 0.00 N ATOM 1150 CA GLY A 73 -4.431 -8.980 -4.569 1.00 0.00 C ATOM 1151 C GLY A 73 -4.494 -7.469 -4.433 1.00 0.00 C ATOM 1152 O GLY A 73 -3.595 -6.765 -4.893 1.00 0.00 O ATOM 0 H GLY A 73 -4.605 -9.600 -2.565 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -3.387 -9.286 -4.636 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -4.909 -9.271 -5.505 1.00 0.00 H new ATOM 1156 N ASP A 74 -5.560 -6.965 -3.828 1.00 0.00 N ATOM 1157 CA ASP A 74 -5.735 -5.525 -3.664 1.00 0.00 C ATOM 1158 C ASP A 74 -4.726 -4.930 -2.673 1.00 0.00 C ATOM 1159 O ASP A 74 -4.120 -5.646 -1.877 1.00 0.00 O ATOM 1160 CB ASP A 74 -7.168 -5.219 -3.215 1.00 0.00 C ATOM 1161 CG ASP A 74 -7.361 -5.390 -1.721 1.00 0.00 C ATOM 1162 OD1 ASP A 74 -7.185 -6.522 -1.224 1.00 0.00 O ATOM 1163 OD2 ASP A 74 -7.688 -4.390 -1.047 1.00 0.00 O ATOM 0 H ASP A 74 -6.317 -7.529 -3.442 1.00 0.00 H new ATOM 0 HA ASP A 74 -5.551 -5.058 -4.631 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -7.422 -4.197 -3.496 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -7.858 -5.876 -3.744 1.00 0.00 H new ATOM 1168 N VAL A 75 -4.568 -3.607 -2.732 1.00 0.00 N ATOM 1169 CA VAL A 75 -3.647 -2.884 -1.844 1.00 0.00 C ATOM 1170 C VAL A 75 -4.417 -1.827 -1.039 1.00 0.00 C ATOM 1171 O VAL A 75 -5.451 -1.344 -1.500 1.00 0.00 O ATOM 1172 CB VAL A 75 -2.524 -2.186 -2.650 1.00 0.00 C ATOM 1173 CG1 VAL A 75 -1.456 -1.600 -1.731 1.00 0.00 C ATOM 1174 CG2 VAL A 75 -1.898 -3.153 -3.642 1.00 0.00 C ATOM 0 H VAL A 75 -5.068 -3.008 -3.389 1.00 0.00 H new ATOM 0 HA VAL A 75 -3.194 -3.611 -1.169 1.00 0.00 H new ATOM 0 HB VAL A 75 -2.977 -1.362 -3.201 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -0.684 -1.118 -2.331 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -1.911 -0.865 -1.067 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -1.009 -2.398 -1.138 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -1.111 -2.644 -4.199 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -1.472 -4.001 -3.105 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -2.661 -3.508 -4.335 1.00 0.00 H new ATOM 1184 N ALA A 76 -3.942 -1.466 0.164 1.00 0.00 N ATOM 1185 CA ALA A 76 -4.653 -0.474 0.966 1.00 0.00 C ATOM 1186 C ALA A 76 -3.725 0.312 1.892 1.00 0.00 C ATOM 1187 O ALA A 76 -2.748 -0.226 2.414 1.00 0.00 O ATOM 1188 CB ALA A 76 -5.745 -1.151 1.779 1.00 0.00 C ATOM 0 H ALA A 76 -3.092 -1.837 0.588 1.00 0.00 H new ATOM 0 HA ALA A 76 -5.094 0.242 0.272 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -6.271 -0.405 2.375 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -6.449 -1.640 1.106 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -5.299 -1.894 2.440 1.00 0.00 H new ATOM 1194 N TYR A 77 -4.057 1.590 2.109 1.00 0.00 N ATOM 1195 CA TYR A 77 -3.271 2.449 2.995 1.00 0.00 C ATOM 1196 C TYR A 77 -3.912 2.488 4.381 1.00 0.00 C ATOM 1197 O TYR A 77 -5.116 2.700 4.509 1.00 0.00 O ATOM 1198 CB TYR A 77 -3.152 3.868 2.403 1.00 0.00 C ATOM 1199 CG TYR A 77 -3.371 4.996 3.395 1.00 0.00 C ATOM 1200 CD1 TYR A 77 -4.643 5.312 3.854 1.00 0.00 C ATOM 1201 CD2 TYR A 77 -2.301 5.746 3.870 1.00 0.00 C ATOM 1202 CE1 TYR A 77 -4.842 6.338 4.758 1.00 0.00 C ATOM 1203 CE2 TYR A 77 -2.493 6.772 4.772 1.00 0.00 C ATOM 1204 CZ TYR A 77 -3.764 7.064 5.213 1.00 0.00 C ATOM 1205 OH TYR A 77 -3.960 8.084 6.116 1.00 0.00 O ATOM 0 H TYR A 77 -4.863 2.049 1.684 1.00 0.00 H new ATOM 0 HA TYR A 77 -2.265 2.039 3.089 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -2.162 3.980 1.961 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -3.875 3.970 1.594 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -5.491 4.746 3.498 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -1.302 5.521 3.527 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -5.838 6.569 5.106 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -1.650 7.344 5.131 1.00 0.00 H new ATOM 0 HH TYR A 77 -4.056 8.933 5.635 1.00 0.00 H new ATOM 1215 N TRP A 78 -3.105 2.275 5.417 1.00 0.00 N ATOM 1216 CA TRP A 78 -3.615 2.283 6.785 1.00 0.00 C ATOM 1217 C TRP A 78 -3.990 3.701 7.222 1.00 0.00 C ATOM 1218 O TRP A 78 -3.156 4.606 7.194 1.00 0.00 O ATOM 1219 CB TRP A 78 -2.579 1.698 7.747 1.00 0.00 C ATOM 1220 CG TRP A 78 -3.176 1.154 9.010 1.00 0.00 C ATOM 1221 CD1 TRP A 78 -4.488 1.205 9.386 1.00 0.00 C ATOM 1222 CD2 TRP A 78 -2.484 0.479 10.067 1.00 0.00 C ATOM 1223 NE1 TRP A 78 -4.653 0.608 10.610 1.00 0.00 N ATOM 1224 CE2 TRP A 78 -3.436 0.152 11.048 1.00 0.00 C ATOM 1225 CE3 TRP A 78 -1.149 0.118 10.277 1.00 0.00 C ATOM 1226 CZ2 TRP A 78 -3.099 -0.517 12.223 1.00 0.00 C ATOM 1227 CZ3 TRP A 78 -0.815 -0.547 11.442 1.00 0.00 C ATOM 1228 CH2 TRP A 78 -1.786 -0.858 12.401 1.00 0.00 C ATOM 0 H TRP A 78 -2.104 2.096 5.337 1.00 0.00 H new ATOM 0 HA TRP A 78 -4.512 1.665 6.811 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -2.033 0.902 7.240 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -1.853 2.471 8.001 1.00 0.00 H new ATOM 0 HD1 TRP A 78 -5.281 1.651 8.804 1.00 0.00 H new ATOM 0 HE1 TRP A 78 -5.536 0.518 11.112 1.00 0.00 H new ATOM 0 HE3 TRP A 78 -0.393 0.354 9.543 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 -3.846 -0.757 12.965 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 0.212 -0.831 11.615 1.00 0.00 H new ATOM 0 HH2 TRP A 78 -1.492 -1.378 13.301 1.00 0.00 H new ATOM 1239 N ILE A 79 -5.249 3.892 7.622 1.00 0.00 N ATOM 1240 CA ILE A 79 -5.720 5.203 8.058 1.00 0.00 C ATOM 1241 C ILE A 79 -5.057 5.611 9.382 1.00 0.00 C ATOM 1242 O ILE A 79 -4.258 6.547 9.412 1.00 0.00 O ATOM 1243 CB ILE A 79 -7.266 5.236 8.192 1.00 0.00 C ATOM 1244 CG1 ILE A 79 -7.914 5.361 6.803 1.00 0.00 C ATOM 1245 CG2 ILE A 79 -7.717 6.370 9.108 1.00 0.00 C ATOM 1246 CD1 ILE A 79 -8.899 6.510 6.671 1.00 0.00 C ATOM 0 H ILE A 79 -5.956 3.157 7.652 1.00 0.00 H new ATOM 0 HA ILE A 79 -5.435 5.924 7.292 1.00 0.00 H new ATOM 0 HB ILE A 79 -7.591 4.300 8.646 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -7.128 5.485 6.059 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -8.429 4.429 6.570 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -8.804 6.367 9.182 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -7.285 6.231 10.099 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -7.384 7.323 8.698 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -9.308 6.524 5.661 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -9.709 6.379 7.389 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -8.388 7.452 6.869 1.00 0.00 H new ATOM 1258 N PRO A 80 -5.370 4.917 10.495 1.00 0.00 N ATOM 1259 CA PRO A 80 -4.786 5.231 11.803 1.00 0.00 C ATOM 1260 C PRO A 80 -3.294 4.917 11.858 1.00 0.00 C ATOM 1261 O PRO A 80 -2.885 3.876 12.374 1.00 0.00 O ATOM 1262 CB PRO A 80 -5.557 4.327 12.769 1.00 0.00 C ATOM 1263 CG PRO A 80 -6.031 3.196 11.927 1.00 0.00 C ATOM 1264 CD PRO A 80 -6.308 3.782 10.572 1.00 0.00 C ATOM 0 HA PRO A 80 -4.866 6.292 12.039 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -4.918 3.977 13.580 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -6.392 4.857 13.227 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -5.277 2.411 11.867 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -6.929 2.744 12.349 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -6.130 3.058 9.777 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -7.344 4.109 10.479 1.00 0.00 H new ATOM 1272 N GLY A 81 -2.488 5.826 11.323 1.00 0.00 N ATOM 1273 CA GLY A 81 -1.049 5.636 11.318 1.00 0.00 C ATOM 1274 C GLY A 81 -0.397 6.139 10.039 1.00 0.00 C ATOM 1275 O GLY A 81 0.827 6.253 9.970 1.00 0.00 O ATOM 0 H GLY A 81 -2.806 6.694 10.891 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -0.615 6.156 12.172 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -0.826 4.576 11.443 1.00 0.00 H new ATOM 1279 N LYS A 82 -1.208 6.444 9.021 1.00 0.00 N ATOM 1280 CA LYS A 82 -0.675 6.942 7.746 1.00 0.00 C ATOM 1281 C LYS A 82 0.386 5.993 7.196 1.00 0.00 C ATOM 1282 O LYS A 82 1.324 6.416 6.521 1.00 0.00 O ATOM 1283 CB LYS A 82 -0.064 8.340 7.921 1.00 0.00 C ATOM 1284 CG LYS A 82 -0.688 9.172 9.038 1.00 0.00 C ATOM 1285 CD LYS A 82 0.272 9.349 10.203 1.00 0.00 C ATOM 1286 CE LYS A 82 -0.402 10.037 11.381 1.00 0.00 C ATOM 1287 NZ LYS A 82 0.506 11.008 12.049 1.00 0.00 N ATOM 0 H LYS A 82 -2.224 6.357 9.052 1.00 0.00 H new ATOM 0 HA LYS A 82 -1.504 6.999 7.041 1.00 0.00 H new ATOM 0 HB2 LYS A 82 1.003 8.234 8.118 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -0.162 8.885 6.982 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -0.974 10.149 8.649 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -1.600 8.688 9.387 1.00 0.00 H new ATOM 0 HD2 LYS A 82 0.649 8.375 10.516 1.00 0.00 H new ATOM 0 HD3 LYS A 82 1.132 9.936 9.881 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -1.297 10.555 11.036 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -0.726 9.287 12.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 0.010 11.455 12.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 1.348 10.510 12.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 0.795 11.738 11.367 1.00 0.00 H new ATOM 1301 N ALA A 83 0.234 4.709 7.500 1.00 0.00 N ATOM 1302 CA ALA A 83 1.181 3.696 7.050 1.00 0.00 C ATOM 1303 C ALA A 83 0.570 2.788 5.982 1.00 0.00 C ATOM 1304 O ALA A 83 -0.561 2.326 6.120 1.00 0.00 O ATOM 1305 CB ALA A 83 1.657 2.874 8.241 1.00 0.00 C ATOM 0 H ALA A 83 -0.538 4.344 8.058 1.00 0.00 H new ATOM 0 HA ALA A 83 2.033 4.203 6.597 1.00 0.00 H new ATOM 0 HB1 ALA A 83 2.365 2.118 7.902 1.00 0.00 H new ATOM 0 HB2 ALA A 83 2.144 3.529 8.963 1.00 0.00 H new ATOM 0 HB3 ALA A 83 0.803 2.387 8.711 1.00 0.00 H new ATOM 1311 N ILE A 84 1.331 2.527 4.921 1.00 0.00 N ATOM 1312 CA ILE A 84 0.865 1.661 3.837 1.00 0.00 C ATOM 1313 C ILE A 84 1.155 0.196 4.162 1.00 0.00 C ATOM 1314 O ILE A 84 2.172 -0.111 4.775 1.00 0.00 O ATOM 1315 CB ILE A 84 1.544 2.014 2.500 1.00 0.00 C ATOM 1316 CG1 ILE A 84 1.477 3.520 2.238 1.00 0.00 C ATOM 1317 CG2 ILE A 84 0.900 1.243 1.358 1.00 0.00 C ATOM 1318 CD1 ILE A 84 2.173 3.946 0.961 1.00 0.00 C ATOM 0 H ILE A 84 2.271 2.901 4.788 1.00 0.00 H new ATOM 0 HA ILE A 84 -0.209 1.817 3.740 1.00 0.00 H new ATOM 0 HB ILE A 84 2.594 1.727 2.563 1.00 0.00 H new ATOM 0 HG12 ILE A 84 0.432 3.826 2.192 1.00 0.00 H new ATOM 0 HG13 ILE A 84 1.926 4.047 3.080 1.00 0.00 H new ATOM 0 HG21 ILE A 84 1.391 1.504 0.420 1.00 0.00 H new ATOM 0 HG22 ILE A 84 1.004 0.173 1.537 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -0.158 1.499 1.297 1.00 0.00 H new ATOM 0 HD11 ILE A 84 2.084 5.026 0.841 1.00 0.00 H new ATOM 0 HD12 ILE A 84 3.227 3.672 1.012 1.00 0.00 H new ATOM 0 HD13 ILE A 84 1.709 3.447 0.110 1.00 0.00 H new ATOM 1330 N CYS A 85 0.257 -0.705 3.763 1.00 0.00 N ATOM 1331 CA CYS A 85 0.448 -2.132 4.047 1.00 0.00 C ATOM 1332 C CYS A 85 0.091 -3.022 2.851 1.00 0.00 C ATOM 1333 O CYS A 85 -0.986 -2.890 2.266 1.00 0.00 O ATOM 1334 CB CYS A 85 -0.386 -2.544 5.269 1.00 0.00 C ATOM 1335 SG CYS A 85 -0.611 -1.233 6.499 1.00 0.00 S ATOM 0 H CYS A 85 -0.596 -0.481 3.251 1.00 0.00 H new ATOM 0 HA CYS A 85 1.508 -2.277 4.255 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -1.366 -2.878 4.929 1.00 0.00 H new ATOM 0 HB3 CYS A 85 0.093 -3.398 5.749 1.00 0.00 H new ATOM 0 HG CYS A 85 -1.495 -1.607 7.375 1.00 0.00 H new ATOM 1341 N LEU A 86 0.998 -3.948 2.507 1.00 0.00 N ATOM 1342 CA LEU A 86 0.775 -4.881 1.399 1.00 0.00 C ATOM 1343 C LEU A 86 0.029 -6.119 1.897 1.00 0.00 C ATOM 1344 O LEU A 86 0.075 -6.439 3.084 1.00 0.00 O ATOM 1345 CB LEU A 86 2.116 -5.308 0.781 1.00 0.00 C ATOM 1346 CG LEU A 86 2.345 -4.884 -0.673 1.00 0.00 C ATOM 1347 CD1 LEU A 86 3.759 -4.356 -0.861 1.00 0.00 C ATOM 1348 CD2 LEU A 86 2.097 -6.051 -1.616 1.00 0.00 C ATOM 0 H LEU A 86 1.893 -4.069 2.982 1.00 0.00 H new ATOM 0 HA LEU A 86 0.176 -4.378 0.640 1.00 0.00 H new ATOM 0 HB2 LEU A 86 2.922 -4.899 1.390 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.192 -6.394 0.839 1.00 0.00 H new ATOM 0 HG LEU A 86 1.640 -4.087 -0.908 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.902 -4.060 -1.900 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.914 -3.493 -0.213 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.476 -5.136 -0.604 1.00 0.00 H new ATOM 0 HD21 LEU A 86 2.265 -5.730 -2.644 1.00 0.00 H new ATOM 0 HD22 LEU A 86 2.780 -6.866 -1.374 1.00 0.00 H new ATOM 0 HD23 LEU A 86 1.069 -6.395 -1.507 1.00 0.00 H new ATOM 1360 N PHE A 87 -0.655 -6.817 0.992 1.00 0.00 N ATOM 1361 CA PHE A 87 -1.397 -8.019 1.368 1.00 0.00 C ATOM 1362 C PHE A 87 -1.189 -9.140 0.354 1.00 0.00 C ATOM 1363 O PHE A 87 -1.345 -8.939 -0.850 1.00 0.00 O ATOM 1364 CB PHE A 87 -2.888 -7.713 1.499 1.00 0.00 C ATOM 1365 CG PHE A 87 -3.175 -6.389 2.142 1.00 0.00 C ATOM 1366 CD1 PHE A 87 -3.006 -6.213 3.507 1.00 0.00 C ATOM 1367 CD2 PHE A 87 -3.615 -5.322 1.383 1.00 0.00 C ATOM 1368 CE1 PHE A 87 -3.270 -4.994 4.098 1.00 0.00 C ATOM 1369 CE2 PHE A 87 -3.879 -4.102 1.968 1.00 0.00 C ATOM 1370 CZ PHE A 87 -3.708 -3.936 3.328 1.00 0.00 C ATOM 0 H PHE A 87 -0.711 -6.574 0.003 1.00 0.00 H new ATOM 0 HA PHE A 87 -1.014 -8.351 2.333 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -3.343 -7.733 0.509 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -3.362 -8.502 2.083 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -2.664 -7.038 4.114 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -3.754 -5.445 0.319 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -3.134 -4.868 5.162 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -4.220 -3.275 1.362 1.00 0.00 H new ATOM 0 HZ PHE A 87 -3.916 -2.981 3.788 1.00 0.00 H new ATOM 1380 N PHE A 88 -0.849 -10.324 0.853 1.00 0.00 N ATOM 1381 CA PHE A 88 -0.636 -11.482 -0.005 1.00 0.00 C ATOM 1382 C PHE A 88 -0.928 -12.774 0.753 1.00 0.00 C ATOM 1383 O PHE A 88 -0.357 -13.823 0.456 1.00 0.00 O ATOM 1384 CB PHE A 88 0.800 -11.494 -0.537 1.00 0.00 C ATOM 1385 CG PHE A 88 0.922 -10.978 -1.942 1.00 0.00 C ATOM 1386 CD1 PHE A 88 1.114 -9.628 -2.185 1.00 0.00 C ATOM 1387 CD2 PHE A 88 0.846 -11.846 -3.020 1.00 0.00 C ATOM 1388 CE1 PHE A 88 1.229 -9.151 -3.477 1.00 0.00 C ATOM 1389 CE2 PHE A 88 0.960 -11.375 -4.315 1.00 0.00 C ATOM 1390 CZ PHE A 88 1.152 -10.025 -4.543 1.00 0.00 C ATOM 0 H PHE A 88 -0.715 -10.506 1.848 1.00 0.00 H new ATOM 0 HA PHE A 88 -1.322 -11.414 -0.849 1.00 0.00 H new ATOM 0 HB2 PHE A 88 1.427 -10.891 0.119 1.00 0.00 H new ATOM 0 HB3 PHE A 88 1.185 -12.513 -0.498 1.00 0.00 H new ATOM 0 HD1 PHE A 88 1.175 -8.940 -1.355 1.00 0.00 H new ATOM 0 HD2 PHE A 88 0.696 -12.901 -2.847 1.00 0.00 H new ATOM 0 HE1 PHE A 88 1.379 -8.096 -3.653 1.00 0.00 H new ATOM 0 HE2 PHE A 88 0.899 -12.061 -5.147 1.00 0.00 H new ATOM 0 HZ PHE A 88 1.242 -9.655 -5.554 1.00 0.00 H new ATOM 1400 N GLY A 89 -1.820 -12.687 1.738 1.00 0.00 N ATOM 1401 CA GLY A 89 -2.172 -13.852 2.528 1.00 0.00 C ATOM 1402 C GLY A 89 -2.596 -13.490 3.942 1.00 0.00 C ATOM 1403 O GLY A 89 -3.127 -12.404 4.176 1.00 0.00 O ATOM 0 H GLY A 89 -2.305 -11.829 2.002 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.982 -14.390 2.036 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -1.319 -14.530 2.570 1.00 0.00 H new ATOM 1407 N LYS A 90 -2.379 -14.415 4.880 1.00 0.00 N ATOM 1408 CA LYS A 90 -2.754 -14.210 6.289 1.00 0.00 C ATOM 1409 C LYS A 90 -2.450 -12.787 6.775 1.00 0.00 C ATOM 1410 O LYS A 90 -1.785 -12.015 6.087 1.00 0.00 O ATOM 1411 CB LYS A 90 -2.042 -15.221 7.202 1.00 0.00 C ATOM 1412 CG LYS A 90 -0.517 -15.179 7.141 1.00 0.00 C ATOM 1413 CD LYS A 90 0.014 -15.859 5.890 1.00 0.00 C ATOM 1414 CE LYS A 90 1.137 -16.824 6.222 1.00 0.00 C ATOM 1415 NZ LYS A 90 1.963 -17.152 5.026 1.00 0.00 N ATOM 0 H LYS A 90 -1.944 -15.318 4.692 1.00 0.00 H new ATOM 0 HA LYS A 90 -3.832 -14.364 6.343 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -2.355 -15.043 8.231 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -2.374 -16.225 6.937 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -0.180 -14.143 7.163 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -0.104 -15.667 8.024 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -0.795 -16.396 5.394 1.00 0.00 H new ATOM 0 HD3 LYS A 90 0.374 -15.106 5.189 1.00 0.00 H new ATOM 0 HE2 LYS A 90 1.773 -16.389 6.993 1.00 0.00 H new ATOM 0 HE3 LYS A 90 0.717 -17.741 6.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 2.718 -17.814 5.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 1.362 -17.591 4.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 2.386 -16.281 4.646 1.00 0.00 H new ATOM 1429 N THR A 91 -2.943 -12.446 7.971 1.00 0.00 N ATOM 1430 CA THR A 91 -2.726 -11.128 8.548 1.00 0.00 C ATOM 1431 C THR A 91 -2.737 -11.235 10.072 1.00 0.00 C ATOM 1432 O THR A 91 -2.816 -12.338 10.611 1.00 0.00 O ATOM 1433 CB THR A 91 -3.815 -10.165 8.064 1.00 0.00 C ATOM 1434 OG1 THR A 91 -4.692 -10.809 7.157 1.00 0.00 O ATOM 1435 CG2 THR A 91 -3.260 -8.941 7.370 1.00 0.00 C ATOM 0 H THR A 91 -3.497 -13.073 8.555 1.00 0.00 H new ATOM 0 HA THR A 91 -1.758 -10.740 8.230 1.00 0.00 H new ATOM 0 HB THR A 91 -4.342 -9.850 8.965 1.00 0.00 H new ATOM 0 HG1 THR A 91 -5.166 -11.532 7.618 1.00 0.00 H new ATOM 0 HG21 THR A 91 -4.082 -8.299 7.051 1.00 0.00 H new ATOM 0 HG22 THR A 91 -2.617 -8.392 8.059 1.00 0.00 H new ATOM 0 HG23 THR A 91 -2.681 -9.248 6.499 1.00 0.00 H new ATOM 1443 N PRO A 92 -2.662 -10.104 10.800 1.00 0.00 N ATOM 1444 CA PRO A 92 -2.672 -10.128 12.264 1.00 0.00 C ATOM 1445 C PRO A 92 -3.761 -11.042 12.821 1.00 0.00 C ATOM 1446 O PRO A 92 -3.653 -11.540 13.940 1.00 0.00 O ATOM 1447 CB PRO A 92 -2.942 -8.670 12.632 1.00 0.00 C ATOM 1448 CG PRO A 92 -2.350 -7.893 11.507 1.00 0.00 C ATOM 1449 CD PRO A 92 -2.566 -8.727 10.272 1.00 0.00 C ATOM 0 HA PRO A 92 -1.743 -10.519 12.679 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -4.010 -8.476 12.732 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -2.480 -8.407 13.584 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -2.830 -6.919 11.410 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -1.289 -7.710 11.674 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -3.474 -8.435 9.744 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -1.740 -8.623 9.568 1.00 0.00 H new ATOM 1457 N ILE A 93 -4.804 -11.266 12.025 1.00 0.00 N ATOM 1458 CA ILE A 93 -5.904 -12.129 12.432 1.00 0.00 C ATOM 1459 C ILE A 93 -6.385 -12.996 11.270 1.00 0.00 C ATOM 1460 O ILE A 93 -7.567 -12.985 10.921 1.00 0.00 O ATOM 1461 CB ILE A 93 -7.091 -11.305 12.974 1.00 0.00 C ATOM 1462 CG1 ILE A 93 -6.604 -10.275 13.994 1.00 0.00 C ATOM 1463 CG2 ILE A 93 -8.132 -12.225 13.596 1.00 0.00 C ATOM 1464 CD1 ILE A 93 -6.374 -8.901 13.403 1.00 0.00 C ATOM 0 H ILE A 93 -4.908 -10.861 11.095 1.00 0.00 H new ATOM 0 HA ILE A 93 -5.525 -12.773 13.226 1.00 0.00 H new ATOM 0 HB ILE A 93 -7.554 -10.772 12.143 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -7.336 -10.198 14.798 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -5.675 -10.629 14.441 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -8.964 -11.630 13.974 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -8.498 -12.923 12.842 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -7.681 -12.782 14.417 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -6.030 -8.222 14.183 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -5.620 -8.964 12.618 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -7.306 -8.526 12.981 1.00 0.00 H new ATOM 1476 N SER A 94 -5.463 -13.753 10.671 1.00 0.00 N ATOM 1477 CA SER A 94 -5.801 -14.631 9.550 1.00 0.00 C ATOM 1478 C SER A 94 -7.033 -15.480 9.882 1.00 0.00 C ATOM 1479 O SER A 94 -8.145 -15.176 9.453 1.00 0.00 O ATOM 1480 CB SER A 94 -4.617 -15.540 9.203 1.00 0.00 C ATOM 1481 OG SER A 94 -3.514 -15.290 10.055 1.00 0.00 O ATOM 0 H SER A 94 -4.480 -13.775 10.943 1.00 0.00 H new ATOM 0 HA SER A 94 -6.029 -14.006 8.686 1.00 0.00 H new ATOM 0 HB2 SER A 94 -4.918 -16.584 9.290 1.00 0.00 H new ATOM 0 HB3 SER A 94 -4.323 -15.379 8.166 1.00 0.00 H new ATOM 0 HG SER A 94 -2.910 -16.062 10.043 1.00 0.00 H new ATOM 1533 N ILE A 98 -8.797 -13.170 6.034 1.00 0.00 N ATOM 1534 CA ILE A 98 -7.847 -12.067 6.012 1.00 0.00 C ATOM 1535 C ILE A 98 -8.446 -10.792 6.588 1.00 0.00 C ATOM 1536 O ILE A 98 -9.521 -10.353 6.178 1.00 0.00 O ATOM 1537 CB ILE A 98 -7.341 -11.786 4.589 1.00 0.00 C ATOM 1538 CG1 ILE A 98 -6.727 -13.049 3.998 1.00 0.00 C ATOM 1539 CG2 ILE A 98 -6.327 -10.648 4.589 1.00 0.00 C ATOM 1540 CD1 ILE A 98 -6.318 -12.889 2.554 1.00 0.00 C ATOM 0 HA ILE A 98 -7.008 -12.375 6.636 1.00 0.00 H new ATOM 0 HB ILE A 98 -8.187 -11.482 3.972 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -5.855 -13.332 4.587 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -7.444 -13.866 4.078 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -5.983 -10.467 3.571 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -6.794 -9.744 4.980 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -5.477 -10.918 5.216 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -5.888 -13.823 2.192 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -7.192 -12.635 1.954 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -5.578 -12.093 2.471 1.00 0.00 H new ATOM 1552 N ARG A 99 -7.724 -10.192 7.521 1.00 0.00 N ATOM 1553 CA ARG A 99 -8.153 -8.952 8.144 1.00 0.00 C ATOM 1554 C ARG A 99 -6.967 -7.995 8.248 1.00 0.00 C ATOM 1555 O ARG A 99 -6.140 -8.117 9.153 1.00 0.00 O ATOM 1556 CB ARG A 99 -8.736 -9.221 9.533 1.00 0.00 C ATOM 1557 CG ARG A 99 -9.779 -10.327 9.550 1.00 0.00 C ATOM 1558 CD ARG A 99 -10.012 -10.851 10.958 1.00 0.00 C ATOM 1559 NE ARG A 99 -11.423 -11.134 11.210 1.00 0.00 N ATOM 1560 CZ ARG A 99 -12.056 -12.211 10.751 1.00 0.00 C ATOM 1561 NH1 ARG A 99 -11.410 -13.108 10.017 1.00 0.00 N ATOM 1562 NH2 ARG A 99 -13.342 -12.392 11.028 1.00 0.00 N ATOM 0 H ARG A 99 -6.832 -10.548 7.865 1.00 0.00 H new ATOM 0 HA ARG A 99 -8.930 -8.499 7.529 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -7.926 -9.486 10.213 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -9.185 -8.304 9.914 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -10.717 -9.951 9.141 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -9.455 -11.144 8.905 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -9.428 -11.759 11.108 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -9.654 -10.118 11.681 1.00 0.00 H new ATOM 0 HE ARG A 99 -11.954 -10.467 11.770 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -10.422 -12.974 9.801 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -11.901 -13.931 9.669 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -13.844 -11.706 11.592 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -13.828 -13.217 10.677 1.00 0.00 H new ATOM 1576 N PRO A 100 -6.859 -7.035 7.315 1.00 0.00 N ATOM 1577 CA PRO A 100 -5.755 -6.069 7.304 1.00 0.00 C ATOM 1578 C PRO A 100 -5.820 -5.102 8.480 1.00 0.00 C ATOM 1579 O PRO A 100 -4.790 -4.645 8.974 1.00 0.00 O ATOM 1580 CB PRO A 100 -5.946 -5.329 5.975 1.00 0.00 C ATOM 1581 CG PRO A 100 -7.399 -5.467 5.678 1.00 0.00 C ATOM 1582 CD PRO A 100 -7.791 -6.821 6.191 1.00 0.00 C ATOM 0 HA PRO A 100 -4.783 -6.554 7.397 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -5.655 -4.282 6.058 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -5.336 -5.767 5.185 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -7.975 -4.681 6.167 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -7.590 -5.383 4.608 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -8.830 -6.843 6.519 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -7.683 -7.589 5.425 1.00 0.00 H new ATOM 1590 N ALA A 101 -7.035 -4.792 8.924 1.00 0.00 N ATOM 1591 CA ALA A 101 -7.230 -3.874 10.049 1.00 0.00 C ATOM 1592 C ALA A 101 -8.716 -3.637 10.302 1.00 0.00 C ATOM 1593 O ALA A 101 -9.560 -4.412 9.856 1.00 0.00 O ATOM 1594 CB ALA A 101 -6.519 -2.553 9.783 1.00 0.00 C ATOM 0 H ALA A 101 -7.899 -5.160 8.525 1.00 0.00 H new ATOM 0 HA ALA A 101 -6.800 -4.329 10.941 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -6.673 -1.881 10.627 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -5.452 -2.734 9.653 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -6.923 -2.098 8.879 1.00 0.00 H new ATOM 1600 N SER A 102 -9.027 -2.563 11.020 1.00 0.00 N ATOM 1601 CA SER A 102 -10.411 -2.229 11.331 1.00 0.00 C ATOM 1602 C SER A 102 -10.877 -0.993 10.560 1.00 0.00 C ATOM 1603 O SER A 102 -12.059 -0.646 10.601 1.00 0.00 O ATOM 1604 CB SER A 102 -10.577 -1.997 12.836 1.00 0.00 C ATOM 1605 OG SER A 102 -9.412 -2.382 13.546 1.00 0.00 O ATOM 0 H SER A 102 -8.340 -1.910 11.397 1.00 0.00 H new ATOM 0 HA SER A 102 -11.030 -3.072 11.025 1.00 0.00 H new ATOM 0 HB2 SER A 102 -10.789 -0.944 13.023 1.00 0.00 H new ATOM 0 HB3 SER A 102 -11.433 -2.564 13.202 1.00 0.00 H new ATOM 0 HG SER A 102 -9.545 -2.222 14.504 1.00 0.00 H new ATOM 1611 N ALA A 103 -9.958 -0.320 9.867 1.00 0.00 N ATOM 1612 CA ALA A 103 -10.323 0.874 9.112 1.00 0.00 C ATOM 1613 C ALA A 103 -9.212 1.336 8.168 1.00 0.00 C ATOM 1614 O ALA A 103 -8.588 2.372 8.398 1.00 0.00 O ATOM 1615 CB ALA A 103 -10.693 1.996 10.070 1.00 0.00 C ATOM 0 H ALA A 103 -8.972 -0.577 9.814 1.00 0.00 H new ATOM 0 HA ALA A 103 -11.181 0.615 8.492 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -10.965 2.885 9.501 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -11.538 1.686 10.684 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -9.842 2.222 10.712 1.00 0.00 H new ATOM 1621 N VAL A 104 -8.979 0.582 7.095 1.00 0.00 N ATOM 1622 CA VAL A 104 -7.951 0.959 6.117 1.00 0.00 C ATOM 1623 C VAL A 104 -8.557 1.206 4.735 1.00 0.00 C ATOM 1624 O VAL A 104 -9.488 0.518 4.323 1.00 0.00 O ATOM 1625 CB VAL A 104 -6.811 -0.087 6.022 1.00 0.00 C ATOM 1626 CG1 VAL A 104 -6.224 -0.359 7.397 1.00 0.00 C ATOM 1627 CG2 VAL A 104 -7.291 -1.384 5.383 1.00 0.00 C ATOM 0 H VAL A 104 -9.478 -0.281 6.879 1.00 0.00 H new ATOM 0 HA VAL A 104 -7.514 1.890 6.478 1.00 0.00 H new ATOM 0 HB VAL A 104 -6.033 0.329 5.382 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -5.425 -1.096 7.312 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -5.822 0.566 7.811 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -7.003 -0.743 8.056 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -6.464 -2.093 5.333 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -8.097 -1.808 5.982 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -7.655 -1.180 4.376 1.00 0.00 H new ATOM 1637 N ASN A 105 -8.028 2.215 4.039 1.00 0.00 N ATOM 1638 CA ASN A 105 -8.516 2.599 2.710 1.00 0.00 C ATOM 1639 C ASN A 105 -7.936 1.732 1.596 1.00 0.00 C ATOM 1640 O ASN A 105 -6.804 1.263 1.690 1.00 0.00 O ATOM 1641 CB ASN A 105 -8.143 4.056 2.428 1.00 0.00 C ATOM 1642 CG ASN A 105 -8.511 4.982 3.567 1.00 0.00 C ATOM 1643 OD1 ASN A 105 -9.530 4.798 4.229 1.00 0.00 O ATOM 1644 ND2 ASN A 105 -7.676 5.986 3.796 1.00 0.00 N ATOM 0 H ASN A 105 -7.254 2.787 4.377 1.00 0.00 H new ATOM 0 HA ASN A 105 -9.597 2.461 2.719 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -7.071 4.123 2.242 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -8.646 4.386 1.519 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -7.867 6.647 4.549 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -6.842 6.098 3.219 1.00 0.00 H new ATOM 1651 N VAL A 106 -8.703 1.575 0.516 1.00 0.00 N ATOM 1652 CA VAL A 106 -8.246 0.818 -0.646 1.00 0.00 C ATOM 1653 C VAL A 106 -7.404 1.729 -1.523 1.00 0.00 C ATOM 1654 O VAL A 106 -7.923 2.456 -2.369 1.00 0.00 O ATOM 1655 CB VAL A 106 -9.401 0.235 -1.501 1.00 0.00 C ATOM 1656 CG1 VAL A 106 -9.267 -1.277 -1.607 1.00 0.00 C ATOM 1657 CG2 VAL A 106 -10.771 0.623 -0.957 1.00 0.00 C ATOM 0 H VAL A 106 -9.642 1.962 0.424 1.00 0.00 H new ATOM 0 HA VAL A 106 -7.672 -0.028 -0.267 1.00 0.00 H new ATOM 0 HB VAL A 106 -9.323 0.667 -2.499 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -10.084 -1.673 -2.210 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -8.316 -1.526 -2.077 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -9.305 -1.716 -0.610 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -11.548 0.192 -1.588 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -10.879 0.246 0.060 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -10.867 1.709 -0.953 1.00 0.00 H new ATOM 1667 N ILE A 107 -6.103 1.702 -1.289 1.00 0.00 N ATOM 1668 CA ILE A 107 -5.167 2.538 -2.018 1.00 0.00 C ATOM 1669 C ILE A 107 -4.840 1.976 -3.408 1.00 0.00 C ATOM 1670 O ILE A 107 -3.834 2.348 -4.012 1.00 0.00 O ATOM 1671 CB ILE A 107 -3.878 2.724 -1.183 1.00 0.00 C ATOM 1672 CG1 ILE A 107 -3.287 4.123 -1.402 1.00 0.00 C ATOM 1673 CG2 ILE A 107 -2.858 1.631 -1.480 1.00 0.00 C ATOM 1674 CD1 ILE A 107 -2.423 4.246 -2.636 1.00 0.00 C ATOM 0 H ILE A 107 -5.667 1.101 -0.590 1.00 0.00 H new ATOM 0 HA ILE A 107 -5.640 3.507 -2.179 1.00 0.00 H new ATOM 0 HB ILE A 107 -4.144 2.635 -0.130 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -4.103 4.843 -1.470 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -2.694 4.395 -0.529 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -1.965 1.793 -0.876 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -3.287 0.658 -1.240 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -2.592 1.659 -2.537 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -2.046 5.265 -2.716 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -1.584 3.553 -2.564 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -3.015 4.008 -3.520 1.00 0.00 H new ATOM 1686 N GLY A 108 -5.696 1.094 -3.926 1.00 0.00 N ATOM 1687 CA GLY A 108 -5.463 0.529 -5.244 1.00 0.00 C ATOM 1688 C GLY A 108 -5.135 -0.952 -5.207 1.00 0.00 C ATOM 1689 O GLY A 108 -5.617 -1.680 -4.340 1.00 0.00 O ATOM 0 H GLY A 108 -6.540 0.764 -3.459 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -6.348 0.684 -5.861 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -4.643 1.065 -5.723 1.00 0.00 H new ATOM 1693 N ARG A 109 -4.312 -1.400 -6.155 1.00 0.00 N ATOM 1694 CA ARG A 109 -3.926 -2.806 -6.227 1.00 0.00 C ATOM 1695 C ARG A 109 -2.594 -2.985 -6.954 1.00 0.00 C ATOM 1696 O ARG A 109 -2.090 -2.059 -7.590 1.00 0.00 O ATOM 1697 CB ARG A 109 -5.010 -3.626 -6.936 1.00 0.00 C ATOM 1698 CG ARG A 109 -6.427 -3.314 -6.475 1.00 0.00 C ATOM 1699 CD ARG A 109 -7.454 -4.162 -7.211 1.00 0.00 C ATOM 1700 NE ARG A 109 -8.261 -4.963 -6.295 1.00 0.00 N ATOM 1701 CZ ARG A 109 -8.946 -6.044 -6.660 1.00 0.00 C ATOM 1702 NH1 ARG A 109 -8.928 -6.455 -7.922 1.00 0.00 N ATOM 1703 NH2 ARG A 109 -9.654 -6.715 -5.760 1.00 0.00 N ATOM 0 H ARG A 109 -3.902 -0.811 -6.880 1.00 0.00 H new ATOM 0 HA ARG A 109 -3.811 -3.164 -5.204 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -4.941 -3.448 -8.009 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -4.812 -4.686 -6.775 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -6.509 -3.491 -5.403 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -6.640 -2.258 -6.641 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -8.106 -3.514 -7.797 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -6.944 -4.820 -7.914 1.00 0.00 H new ATOM 0 HE ARG A 109 -8.302 -4.677 -5.317 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -8.387 -5.942 -8.618 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -9.455 -7.284 -8.196 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -9.673 -6.402 -4.789 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -10.179 -7.544 -6.039 1.00 0.00 H new ATOM 1717 N ILE A 110 -2.036 -4.190 -6.853 1.00 0.00 N ATOM 1718 CA ILE A 110 -0.765 -4.510 -7.498 1.00 0.00 C ATOM 1719 C ILE A 110 -0.996 -5.146 -8.867 1.00 0.00 C ATOM 1720 O ILE A 110 -1.542 -6.244 -8.968 1.00 0.00 O ATOM 1721 CB ILE A 110 0.075 -5.471 -6.628 1.00 0.00 C ATOM 1722 CG1 ILE A 110 0.329 -4.855 -5.246 1.00 0.00 C ATOM 1723 CG2 ILE A 110 1.395 -5.806 -7.313 1.00 0.00 C ATOM 1724 CD1 ILE A 110 -0.291 -5.629 -4.100 1.00 0.00 C ATOM 0 H ILE A 110 -2.446 -4.963 -6.329 1.00 0.00 H new ATOM 0 HA ILE A 110 -0.220 -3.574 -7.622 1.00 0.00 H new ATOM 0 HB ILE A 110 -0.486 -6.396 -6.499 1.00 0.00 H new ATOM 0 HG12 ILE A 110 1.405 -4.785 -5.083 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -0.062 -3.837 -5.236 1.00 0.00 H new ATOM 0 HG21 ILE A 110 1.970 -6.484 -6.683 1.00 0.00 H new ATOM 0 HG22 ILE A 110 1.196 -6.284 -8.272 1.00 0.00 H new ATOM 0 HG23 ILE A 110 1.964 -4.890 -7.475 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -0.065 -5.128 -3.159 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -1.371 -5.677 -4.236 1.00 0.00 H new ATOM 0 HD13 ILE A 110 0.117 -6.639 -4.080 1.00 0.00 H new ATOM 1736 N VAL A 111 -0.576 -4.448 -9.918 1.00 0.00 N ATOM 1737 CA VAL A 111 -0.742 -4.953 -11.285 1.00 0.00 C ATOM 1738 C VAL A 111 -0.141 -6.350 -11.428 1.00 0.00 C ATOM 1739 O VAL A 111 -0.862 -7.347 -11.441 1.00 0.00 O ATOM 1740 CB VAL A 111 -0.110 -4.027 -12.362 1.00 0.00 C ATOM 1741 CG1 VAL A 111 -1.183 -3.466 -13.283 1.00 0.00 C ATOM 1742 CG2 VAL A 111 0.701 -2.898 -11.736 1.00 0.00 C ATOM 0 H VAL A 111 -0.121 -3.537 -9.855 1.00 0.00 H new ATOM 0 HA VAL A 111 -1.818 -4.983 -11.457 1.00 0.00 H new ATOM 0 HB VAL A 111 0.576 -4.635 -12.951 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -0.720 -2.821 -14.030 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -1.699 -4.286 -13.782 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -1.899 -2.889 -12.698 1.00 0.00 H new ATOM 0 HG21 VAL A 111 1.125 -2.275 -12.523 1.00 0.00 H new ATOM 0 HG22 VAL A 111 0.053 -2.292 -11.103 1.00 0.00 H new ATOM 0 HG23 VAL A 111 1.506 -3.319 -11.133 1.00 0.00 H new ATOM 1816 N LEU A 117 5.951 -10.072 -2.713 1.00 0.00 N ATOM 1817 CA LEU A 117 6.751 -9.205 -1.849 1.00 0.00 C ATOM 1818 C LEU A 117 6.663 -9.639 -0.389 1.00 0.00 C ATOM 1819 O LEU A 117 7.641 -9.541 0.353 1.00 0.00 O ATOM 1820 CB LEU A 117 6.301 -7.745 -1.984 1.00 0.00 C ATOM 1821 CG LEU A 117 7.046 -6.746 -1.086 1.00 0.00 C ATOM 1822 CD1 LEU A 117 7.264 -5.423 -1.804 1.00 0.00 C ATOM 1823 CD2 LEU A 117 6.290 -6.523 0.219 1.00 0.00 C ATOM 0 HA LEU A 117 7.789 -9.291 -2.170 1.00 0.00 H new ATOM 0 HB2 LEU A 117 6.425 -7.438 -3.023 1.00 0.00 H new ATOM 0 HB3 LEU A 117 5.236 -7.687 -1.759 1.00 0.00 H new ATOM 0 HG LEU A 117 8.022 -7.172 -0.852 1.00 0.00 H new ATOM 0 HD11 LEU A 117 7.793 -4.735 -1.145 1.00 0.00 H new ATOM 0 HD12 LEU A 117 7.855 -5.591 -2.704 1.00 0.00 H new ATOM 0 HD13 LEU A 117 6.300 -4.994 -2.078 1.00 0.00 H new ATOM 0 HD21 LEU A 117 6.836 -5.812 0.839 1.00 0.00 H new ATOM 0 HD22 LEU A 117 5.298 -6.128 0.002 1.00 0.00 H new ATOM 0 HD23 LEU A 117 6.195 -7.470 0.751 1.00 0.00 H new ATOM 1835 N LYS A 118 5.492 -10.126 0.019 1.00 0.00 N ATOM 1836 CA LYS A 118 5.287 -10.582 1.399 1.00 0.00 C ATOM 1837 C LYS A 118 6.479 -11.403 1.909 1.00 0.00 C ATOM 1838 O LYS A 118 6.711 -11.482 3.116 1.00 0.00 O ATOM 1839 CB LYS A 118 4.002 -11.412 1.517 1.00 0.00 C ATOM 1840 CG LYS A 118 3.850 -12.483 0.445 1.00 0.00 C ATOM 1841 CD LYS A 118 4.553 -13.773 0.834 1.00 0.00 C ATOM 1842 CE LYS A 118 3.917 -14.405 2.064 1.00 0.00 C ATOM 1843 NZ LYS A 118 4.042 -15.889 2.053 1.00 0.00 N ATOM 0 H LYS A 118 4.672 -10.216 -0.581 1.00 0.00 H new ATOM 0 HA LYS A 118 5.195 -9.690 2.018 1.00 0.00 H new ATOM 0 HB2 LYS A 118 3.980 -11.889 2.497 1.00 0.00 H new ATOM 0 HB3 LYS A 118 3.144 -10.741 1.469 1.00 0.00 H new ATOM 0 HG2 LYS A 118 2.792 -12.682 0.277 1.00 0.00 H new ATOM 0 HG3 LYS A 118 4.258 -12.116 -0.496 1.00 0.00 H new ATOM 0 HD2 LYS A 118 4.514 -14.475 0.001 1.00 0.00 H new ATOM 0 HD3 LYS A 118 5.606 -13.570 1.031 1.00 0.00 H new ATOM 0 HE2 LYS A 118 4.390 -14.007 2.962 1.00 0.00 H new ATOM 0 HE3 LYS A 118 2.863 -14.130 2.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 3.597 -16.281 2.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 3.569 -16.271 1.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 5.048 -16.153 2.035 1.00 0.00 H new ATOM 1857 N GLY A 119 7.236 -12.010 0.991 1.00 0.00 N ATOM 1858 CA GLY A 119 8.391 -12.805 1.379 1.00 0.00 C ATOM 1859 C GLY A 119 9.658 -11.974 1.515 1.00 0.00 C ATOM 1860 O GLY A 119 10.759 -12.460 1.252 1.00 0.00 O ATOM 0 H GLY A 119 7.068 -11.964 -0.014 1.00 0.00 H new ATOM 0 HA2 GLY A 119 8.183 -13.301 2.327 1.00 0.00 H new ATOM 0 HA3 GLY A 119 8.553 -13.588 0.638 1.00 0.00 H new ATOM 1864 N VAL A 120 9.497 -10.724 1.932 1.00 0.00 N ATOM 1865 CA VAL A 120 10.625 -9.810 2.115 1.00 0.00 C ATOM 1866 C VAL A 120 11.405 -10.157 3.381 1.00 0.00 C ATOM 1867 O VAL A 120 10.854 -10.739 4.313 1.00 0.00 O ATOM 1868 CB VAL A 120 10.165 -8.338 2.207 1.00 0.00 C ATOM 1869 CG1 VAL A 120 9.700 -7.829 0.852 1.00 0.00 C ATOM 1870 CG2 VAL A 120 9.067 -8.175 3.250 1.00 0.00 C ATOM 0 H VAL A 120 8.589 -10.315 2.152 1.00 0.00 H new ATOM 0 HA VAL A 120 11.264 -9.926 1.240 1.00 0.00 H new ATOM 0 HB VAL A 120 11.020 -7.739 2.519 1.00 0.00 H new ATOM 0 HG11 VAL A 120 9.381 -6.791 0.943 1.00 0.00 H new ATOM 0 HG12 VAL A 120 10.520 -7.895 0.137 1.00 0.00 H new ATOM 0 HG13 VAL A 120 8.864 -8.436 0.503 1.00 0.00 H new ATOM 0 HG21 VAL A 120 8.761 -7.130 3.295 1.00 0.00 H new ATOM 0 HG22 VAL A 120 8.211 -8.793 2.977 1.00 0.00 H new ATOM 0 HG23 VAL A 120 9.442 -8.486 4.225 1.00 0.00 H new ATOM 1880 N ALA A 121 12.686 -9.801 3.420 1.00 0.00 N ATOM 1881 CA ALA A 121 13.509 -10.079 4.592 1.00 0.00 C ATOM 1882 C ALA A 121 13.130 -9.138 5.734 1.00 0.00 C ATOM 1883 O ALA A 121 12.782 -7.981 5.500 1.00 0.00 O ATOM 1884 CB ALA A 121 14.988 -9.944 4.257 1.00 0.00 C ATOM 0 H ALA A 121 13.173 -9.324 2.661 1.00 0.00 H new ATOM 0 HA ALA A 121 13.326 -11.106 4.908 1.00 0.00 H new ATOM 0 HB1 ALA A 121 15.583 -10.156 5.145 1.00 0.00 H new ATOM 0 HB2 ALA A 121 15.249 -10.651 3.469 1.00 0.00 H new ATOM 0 HB3 ALA A 121 15.193 -8.929 3.916 1.00 0.00 H new ATOM 1890 N ASP A 122 13.182 -9.638 6.966 1.00 0.00 N ATOM 1891 CA ASP A 122 12.823 -8.832 8.128 1.00 0.00 C ATOM 1892 C ASP A 122 13.677 -7.571 8.231 1.00 0.00 C ATOM 1893 O ASP A 122 14.879 -7.639 8.484 1.00 0.00 O ATOM 1894 CB ASP A 122 12.945 -9.654 9.413 1.00 0.00 C ATOM 1895 CG ASP A 122 14.383 -10.009 9.746 1.00 0.00 C ATOM 1896 OD1 ASP A 122 15.076 -10.564 8.867 1.00 0.00 O ATOM 1897 OD2 ASP A 122 14.814 -9.733 10.885 1.00 0.00 O ATOM 0 H ASP A 122 13.468 -10.593 7.184 1.00 0.00 H new ATOM 0 HA ASP A 122 11.786 -8.523 7.998 1.00 0.00 H new ATOM 0 HB2 ASP A 122 12.512 -9.093 10.241 1.00 0.00 H new ATOM 0 HB3 ASP A 122 12.363 -10.570 9.310 1.00 0.00 H new ATOM 1902 N GLY A 123 13.037 -6.420 8.049 1.00 0.00 N ATOM 1903 CA GLY A 123 13.737 -5.153 8.143 1.00 0.00 C ATOM 1904 C GLY A 123 14.646 -4.873 6.958 1.00 0.00 C ATOM 1905 O GLY A 123 15.741 -5.430 6.864 1.00 0.00 O ATOM 0 H GLY A 123 12.042 -6.343 7.837 1.00 0.00 H new ATOM 0 HA2 GLY A 123 13.006 -4.349 8.228 1.00 0.00 H new ATOM 0 HA3 GLY A 123 14.331 -5.142 9.057 1.00 0.00 H new ATOM 1909 N GLU A 124 14.200 -3.994 6.064 1.00 0.00 N ATOM 1910 CA GLU A 124 14.992 -3.624 4.892 1.00 0.00 C ATOM 1911 C GLU A 124 14.549 -2.271 4.339 1.00 0.00 C ATOM 1912 O GLU A 124 13.396 -1.874 4.492 1.00 0.00 O ATOM 1913 CB GLU A 124 14.908 -4.703 3.803 1.00 0.00 C ATOM 1914 CG GLU A 124 13.544 -5.352 3.671 1.00 0.00 C ATOM 1915 CD GLU A 124 13.510 -6.405 2.581 1.00 0.00 C ATOM 1916 OE1 GLU A 124 13.832 -7.574 2.877 1.00 0.00 O ATOM 1917 OE2 GLU A 124 13.166 -6.061 1.431 1.00 0.00 O ATOM 0 H GLU A 124 13.296 -3.525 6.128 1.00 0.00 H new ATOM 0 HA GLU A 124 16.032 -3.542 5.208 1.00 0.00 H new ATOM 0 HB2 GLU A 124 15.180 -4.258 2.846 1.00 0.00 H new ATOM 0 HB3 GLU A 124 15.646 -5.476 4.016 1.00 0.00 H new ATOM 0 HG2 GLU A 124 13.268 -5.808 4.622 1.00 0.00 H new ATOM 0 HG3 GLU A 124 12.799 -4.586 3.456 1.00 0.00 H new ATOM 1924 N SER A 125 15.483 -1.560 3.708 1.00 0.00 N ATOM 1925 CA SER A 125 15.204 -0.238 3.143 1.00 0.00 C ATOM 1926 C SER A 125 13.951 -0.237 2.267 1.00 0.00 C ATOM 1927 O SER A 125 13.457 -1.287 1.856 1.00 0.00 O ATOM 1928 CB SER A 125 16.403 0.246 2.328 1.00 0.00 C ATOM 1929 OG SER A 125 16.603 1.640 2.490 1.00 0.00 O ATOM 0 H SER A 125 16.443 -1.878 3.574 1.00 0.00 H new ATOM 0 HA SER A 125 15.024 0.440 3.977 1.00 0.00 H new ATOM 0 HB2 SER A 125 17.299 -0.291 2.640 1.00 0.00 H new ATOM 0 HB3 SER A 125 16.245 0.019 1.274 1.00 0.00 H new ATOM 0 HG SER A 125 17.377 1.923 1.960 1.00 0.00 H new ATOM 1935 N VAL A 126 13.456 0.966 1.986 1.00 0.00 N ATOM 1936 CA VAL A 126 12.267 1.158 1.158 1.00 0.00 C ATOM 1937 C VAL A 126 12.250 2.570 0.570 1.00 0.00 C ATOM 1938 O VAL A 126 12.406 3.551 1.298 1.00 0.00 O ATOM 1939 CB VAL A 126 10.968 0.927 1.965 1.00 0.00 C ATOM 1940 CG1 VAL A 126 9.741 1.087 1.083 1.00 0.00 C ATOM 1941 CG2 VAL A 126 10.977 -0.441 2.616 1.00 0.00 C ATOM 0 H VAL A 126 13.867 1.835 2.326 1.00 0.00 H new ATOM 0 HA VAL A 126 12.310 0.424 0.353 1.00 0.00 H new ATOM 0 HB VAL A 126 10.923 1.683 2.749 1.00 0.00 H new ATOM 0 HG11 VAL A 126 8.842 0.919 1.676 1.00 0.00 H new ATOM 0 HG12 VAL A 126 9.720 2.095 0.669 1.00 0.00 H new ATOM 0 HG13 VAL A 126 9.780 0.362 0.270 1.00 0.00 H new ATOM 0 HG21 VAL A 126 10.054 -0.582 3.178 1.00 0.00 H new ATOM 0 HG22 VAL A 126 11.055 -1.209 1.847 1.00 0.00 H new ATOM 0 HG23 VAL A 126 11.829 -0.517 3.292 1.00 0.00 H new ATOM 1951 N VAL A 127 12.063 2.674 -0.746 1.00 0.00 N ATOM 1952 CA VAL A 127 12.035 3.976 -1.406 1.00 0.00 C ATOM 1953 C VAL A 127 10.766 4.151 -2.237 1.00 0.00 C ATOM 1954 O VAL A 127 10.608 3.529 -3.288 1.00 0.00 O ATOM 1955 CB VAL A 127 13.269 4.181 -2.312 1.00 0.00 C ATOM 1956 CG1 VAL A 127 14.543 4.244 -1.480 1.00 0.00 C ATOM 1957 CG2 VAL A 127 13.355 3.079 -3.358 1.00 0.00 C ATOM 0 H VAL A 127 11.930 1.878 -1.370 1.00 0.00 H new ATOM 0 HA VAL A 127 12.050 4.726 -0.616 1.00 0.00 H new ATOM 0 HB VAL A 127 13.159 5.133 -2.832 1.00 0.00 H new ATOM 0 HG11 VAL A 127 15.400 4.389 -2.138 1.00 0.00 H new ATOM 0 HG12 VAL A 127 14.479 5.076 -0.779 1.00 0.00 H new ATOM 0 HG13 VAL A 127 14.663 3.312 -0.927 1.00 0.00 H new ATOM 0 HG21 VAL A 127 14.231 3.241 -3.986 1.00 0.00 H new ATOM 0 HG22 VAL A 127 13.438 2.112 -2.862 1.00 0.00 H new ATOM 0 HG23 VAL A 127 12.457 3.093 -3.976 1.00 0.00 H new ATOM 1967 N VAL A 128 9.867 5.007 -1.758 1.00 0.00 N ATOM 1968 CA VAL A 128 8.608 5.275 -2.453 1.00 0.00 C ATOM 1969 C VAL A 128 8.813 6.339 -3.539 1.00 0.00 C ATOM 1970 O VAL A 128 9.366 7.404 -3.264 1.00 0.00 O ATOM 1971 CB VAL A 128 7.510 5.773 -1.478 1.00 0.00 C ATOM 1972 CG1 VAL A 128 6.148 5.197 -1.841 1.00 0.00 C ATOM 1973 CG2 VAL A 128 7.851 5.436 -0.032 1.00 0.00 C ATOM 0 H VAL A 128 9.986 5.529 -0.890 1.00 0.00 H new ATOM 0 HA VAL A 128 8.285 4.335 -2.901 1.00 0.00 H new ATOM 0 HB VAL A 128 7.466 6.858 -1.575 1.00 0.00 H new ATOM 0 HG11 VAL A 128 5.399 5.564 -1.140 1.00 0.00 H new ATOM 0 HG12 VAL A 128 5.880 5.505 -2.852 1.00 0.00 H new ATOM 0 HG13 VAL A 128 6.188 4.109 -1.792 1.00 0.00 H new ATOM 0 HG21 VAL A 128 7.059 5.800 0.623 1.00 0.00 H new ATOM 0 HG22 VAL A 128 7.944 4.356 0.078 1.00 0.00 H new ATOM 0 HG23 VAL A 128 8.794 5.911 0.240 1.00 0.00 H new ATOM 1983 N GLU A 129 8.373 6.056 -4.765 1.00 0.00 N ATOM 1984 CA GLU A 129 8.528 7.005 -5.865 1.00 0.00 C ATOM 1985 C GLU A 129 7.444 6.806 -6.927 1.00 0.00 C ATOM 1986 O GLU A 129 7.220 5.691 -7.393 1.00 0.00 O ATOM 1987 CB GLU A 129 9.910 6.846 -6.501 1.00 0.00 C ATOM 1988 CG GLU A 129 10.263 5.407 -6.841 1.00 0.00 C ATOM 1989 CD GLU A 129 11.754 5.138 -6.771 1.00 0.00 C ATOM 1990 OE1 GLU A 129 12.333 5.287 -5.674 1.00 0.00 O ATOM 1991 OE2 GLU A 129 12.342 4.782 -7.813 1.00 0.00 O ATOM 0 H GLU A 129 7.910 5.184 -5.020 1.00 0.00 H new ATOM 0 HA GLU A 129 8.426 8.011 -5.459 1.00 0.00 H new ATOM 0 HB2 GLU A 129 9.953 7.446 -7.410 1.00 0.00 H new ATOM 0 HB3 GLU A 129 10.662 7.244 -5.820 1.00 0.00 H new ATOM 0 HG2 GLU A 129 9.745 4.738 -6.154 1.00 0.00 H new ATOM 0 HG3 GLU A 129 9.903 5.176 -7.844 1.00 0.00 H new ATOM 1998 N ARG A 130 6.780 7.898 -7.307 1.00 0.00 N ATOM 1999 CA ARG A 130 5.727 7.841 -8.317 1.00 0.00 C ATOM 2000 C ARG A 130 6.323 7.676 -9.712 1.00 0.00 C ATOM 2001 O ARG A 130 6.610 8.658 -10.395 1.00 0.00 O ATOM 2002 CB ARG A 130 4.875 9.113 -8.261 1.00 0.00 C ATOM 2003 CG ARG A 130 3.797 9.184 -9.332 1.00 0.00 C ATOM 2004 CD ARG A 130 4.249 10.010 -10.528 1.00 0.00 C ATOM 2005 NE ARG A 130 3.333 11.112 -10.810 1.00 0.00 N ATOM 2006 CZ ARG A 130 2.181 10.970 -11.460 1.00 0.00 C ATOM 2007 NH1 ARG A 130 1.798 9.776 -11.896 1.00 0.00 N ATOM 2008 NH2 ARG A 130 1.407 12.026 -11.677 1.00 0.00 N ATOM 0 H ARG A 130 6.953 8.830 -6.931 1.00 0.00 H new ATOM 0 HA ARG A 130 5.097 6.977 -8.106 1.00 0.00 H new ATOM 0 HB2 ARG A 130 4.403 9.179 -7.281 1.00 0.00 H new ATOM 0 HB3 ARG A 130 5.528 9.980 -8.360 1.00 0.00 H new ATOM 0 HG2 ARG A 130 3.543 8.176 -9.660 1.00 0.00 H new ATOM 0 HG3 ARG A 130 2.892 9.620 -8.909 1.00 0.00 H new ATOM 0 HD2 ARG A 130 5.246 10.407 -10.338 1.00 0.00 H new ATOM 0 HD3 ARG A 130 4.324 9.367 -11.405 1.00 0.00 H new ATOM 0 HE ARG A 130 3.592 12.045 -10.490 1.00 0.00 H new ATOM 0 HH11 ARG A 130 2.388 8.960 -11.733 1.00 0.00 H new ATOM 0 HH12 ARG A 130 0.913 9.674 -12.394 1.00 0.00 H new ATOM 0 HH21 ARG A 130 1.695 12.946 -11.345 1.00 0.00 H new ATOM 0 HH22 ARG A 130 0.524 11.917 -12.175 1.00 0.00 H new ATOM 2022 N ALA A 131 6.503 6.423 -10.129 1.00 0.00 N ATOM 2023 CA ALA A 131 7.062 6.118 -11.446 1.00 0.00 C ATOM 2024 C ALA A 131 8.237 7.030 -11.788 1.00 0.00 C ATOM 2025 O ALA A 131 9.378 6.689 -11.412 1.00 0.00 O ATOM 2026 CB ALA A 131 5.980 6.224 -12.508 1.00 0.00 C ATOM 2027 OXT ALA A 131 8.006 8.077 -12.429 1.00 0.00 O ATOM 0 H ALA A 131 6.269 5.601 -9.572 1.00 0.00 H new ATOM 0 HA ALA A 131 7.440 5.096 -11.420 1.00 0.00 H new ATOM 0 HB1 ALA A 131 6.406 5.995 -13.485 1.00 0.00 H new ATOM 0 HB2 ALA A 131 5.181 5.517 -12.285 1.00 0.00 H new ATOM 0 HB3 ALA A 131 5.576 7.236 -12.516 1.00 0.00 H new